 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/12_L-valine/Gau-18289.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18293.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 14:05:07 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 14:05:07 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Mon Sep 27 14:05:08 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 14:05:10 2021, MaxMem=  5637144576 cpu:              17.6 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.86D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Sep 27 14:05:11 2021, MaxMem=  5637144576 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 14:05:12 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 14:05:12 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.229616844400    
 DIIS: error= 3.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.229616844400     IErMin= 1 ErrMin= 3.50D-03
 ErrMax= 3.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.433 Goal=   None    Shift=    0.000
 GapD=    0.433 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.15D-02 MaxDP=9.74D-01              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.12D-02    CP:  1.09D+00
 E= -401.239169893915     Delta-E=       -0.009553049515 Rises=F Damp=F
 DIIS: error= 1.32D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.239169893915     IErMin= 2 ErrMin= 1.32D-03
 ErrMax= 1.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-03 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.32D-02
 Coeff-Com:  0.132D+00 0.868D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.131D+00 0.869D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.76D-03 MaxDP=1.52D-01 DE=-9.55D-03 OVMax= 8.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.18D-04    CP:  1.11D+00  1.14D+00
 E= -401.239598569108     Delta-E=       -0.000428675193 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.239598569108     IErMin= 3 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.39D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com: -0.411D-01 0.473D+00 0.568D+00
 Coeff-En:   0.000D+00 0.370D+00 0.630D+00
 Coeff:     -0.407D-01 0.472D+00 0.569D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.06D-04 MaxDP=5.85D-02 DE=-4.29D-04 OVMax= 4.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.42D-04    CP:  1.11D+00  1.18D+00  1.12D+00
 E= -401.240351234724     Delta-E=       -0.000752665616 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.240351234724     IErMin= 4 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-05 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.166D-01 0.110D+00 0.178D+00 0.729D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.110D+00 0.178D+00 0.729D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.30D-04 MaxDP=7.62D-03 DE=-7.53D-04 OVMax= 1.32D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.27D-05    CP:  1.11D+00  1.19D+00  1.21D+00  1.08D+00
 E= -401.240366561710     Delta-E=       -0.000015326986 Rises=F Damp=F
 DIIS: error= 9.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.240366561710     IErMin= 5 ErrMin= 9.69D-05
 ErrMax= 9.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-06 BMatP= 2.03D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-02-0.548D-01-0.396D-01 0.403D+00 0.691D+00
 Coeff:      0.107D-02-0.548D-01-0.396D-01 0.403D+00 0.691D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.94D-05 MaxDP=3.77D-03 DE=-1.53D-05 OVMax= 8.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.86D-05    CP:  1.11D+00  1.20D+00  1.26D+00  1.16D+00  1.29D+00
 E= -401.240373611725     Delta-E=       -0.000007050015 Rises=F Damp=F
 DIIS: error= 1.42D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.240373611725     IErMin= 6 ErrMin= 1.42D-05
 ErrMax= 1.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-07 BMatP= 7.89D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.275D-01-0.281D-01 0.815D-01 0.234D+00 0.739D+00
 Coeff:      0.172D-02-0.275D-01-0.281D-01 0.815D-01 0.234D+00 0.739D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.30D-05 MaxDP=9.02D-04 DE=-7.05D-06 OVMax= 3.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.76D-06    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.38D+00
                    CP:  1.25D+00
 E= -401.240374002765     Delta-E=       -0.000000391040 Rises=F Damp=F
 DIIS: error= 4.90D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.240374002765     IErMin= 7 ErrMin= 4.90D-06
 ErrMax= 4.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-08 BMatP= 3.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.214D-03 0.188D-02-0.323D-03-0.381D-01-0.400D-01 0.174D+00
 Coeff-Com:  0.903D+00
 Coeff:      0.214D-03 0.188D-02-0.323D-03-0.381D-01-0.400D-01 0.174D+00
 Coeff:      0.903D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.24D-06 MaxDP=7.75D-04 DE=-3.91D-07 OVMax= 1.70D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.32D-06    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.42D+00
                    CP:  1.35D+00  1.26D+00
 E= -401.240374063801     Delta-E=       -0.000000061036 Rises=F Damp=F
 DIIS: error= 1.71D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.240374063801     IErMin= 8 ErrMin= 1.71D-06
 ErrMax= 1.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-09 BMatP= 2.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-03 0.273D-02 0.252D-02-0.142D-01-0.257D-01-0.395D-01
 Coeff-Com:  0.136D+00 0.939D+00
 Coeff:     -0.131D-03 0.273D-02 0.252D-02-0.142D-01-0.257D-01-0.395D-01
 Coeff:      0.136D+00 0.939D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.03D-06 MaxDP=2.08D-04 DE=-6.10D-08 OVMax= 6.82D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.79D-07    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.43D+00
                    CP:  1.37D+00  1.37D+00  1.19D+00
 E= -401.240374070013     Delta-E=       -0.000000006212 Rises=F Damp=F
 DIIS: error= 8.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.240374070013     IErMin= 9 ErrMin= 8.18D-07
 ErrMax= 8.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.11D-10 BMatP= 2.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.644D-04 0.734D-03 0.912D-03-0.938D-03-0.432D-02-0.344D-01
 Coeff-Com: -0.597D-01 0.347D+00 0.751D+00
 Coeff:     -0.644D-04 0.734D-03 0.912D-03-0.938D-03-0.432D-02-0.344D-01
 Coeff:     -0.597D-01 0.347D+00 0.751D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=4.64D-07 MaxDP=2.87D-05 DE=-6.21D-09 OVMax= 2.12D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.20D-07    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.43D+00
                    CP:  1.37D+00  1.40D+00  1.28D+00  1.11D+00
 E= -401.240374070929     Delta-E=       -0.000000000917 Rises=F Damp=F
 DIIS: error= 2.43D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.240374070929     IErMin=10 ErrMin= 2.43D-07
 ErrMax= 2.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-11 BMatP= 5.11D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.719D-05-0.279D-03-0.203D-03 0.203D-02 0.336D-02-0.101D-03
 Coeff-Com: -0.336D-01-0.701D-01 0.119D+00 0.979D+00
 Coeff:      0.719D-05-0.279D-03-0.203D-03 0.203D-02 0.336D-02-0.101D-03
 Coeff:     -0.336D-01-0.701D-01 0.119D+00 0.979D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=1.56D-05 DE=-9.17D-10 OVMax= 1.01D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.13D-08    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.43D+00
                    CP:  1.37D+00  1.40D+00  1.30D+00  1.19D+00  1.30D+00
 E= -401.240374071047     Delta-E=       -0.000000000118 Rises=F Damp=F
 DIIS: error= 6.61D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.240374071047     IErMin=11 ErrMin= 6.61D-08
 ErrMax= 6.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-12 BMatP= 3.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.738D-05-0.152D-03-0.144D-03 0.710D-03 0.147D-02 0.307D-02
 Coeff-Com: -0.562D-02-0.512D-01-0.352D-01 0.306D+00 0.781D+00
 Coeff:      0.738D-05-0.152D-03-0.144D-03 0.710D-03 0.147D-02 0.307D-02
 Coeff:     -0.562D-02-0.512D-01-0.352D-01 0.306D+00 0.781D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=5.22D-08 MaxDP=4.35D-06 DE=-1.18D-10 OVMax= 2.24D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.13D-08    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.43D+00
                    CP:  1.37D+00  1.40D+00  1.29D+00  1.20D+00  1.37D+00
                    CP:  1.10D+00
 E= -401.240374071070     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 2.16D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.240374071070     IErMin=12 ErrMin= 2.16D-08
 ErrMax= 2.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-13 BMatP= 5.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.707D-06 0.764D-05-0.272D-05-0.139D-03-0.158D-03 0.596D-03
 Coeff-Com:  0.326D-02 0.114D-02-0.246D-01-0.763D-01 0.122D+00 0.974D+00
 Coeff:      0.707D-06 0.764D-05-0.272D-05-0.139D-03-0.158D-03 0.596D-03
 Coeff:      0.326D-02 0.114D-02-0.246D-01-0.763D-01 0.122D+00 0.974D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.36D-08 MaxDP=1.50D-06 DE=-2.29D-11 OVMax= 9.51D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.11D+00  1.20D+00  1.26D+00  1.17D+00  1.43D+00
                    CP:  1.37D+00  1.40D+00  1.29D+00  1.19D+00  1.39D+00
                    CP:  1.22D+00  1.15D+00
 E= -401.240374071067     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 8.07D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.240374071070     IErMin=13 ErrMin= 8.07D-09
 ErrMax= 8.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-14 BMatP= 4.79D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.581D-06 0.164D-04 0.132D-04-0.971D-04-0.178D-03-0.157D-03
 Coeff-Com:  0.120D-02 0.526D-02-0.228D-02-0.427D-01-0.514D-01 0.200D+00
 Coeff-Com:  0.891D+00
 Coeff:     -0.581D-06 0.164D-04 0.132D-04-0.971D-04-0.178D-03-0.157D-03
 Coeff:      0.120D-02 0.526D-02-0.228D-02-0.427D-01-0.514D-01 0.200D+00
 Coeff:      0.891D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=7.60D-09 MaxDP=5.24D-07 DE= 2.96D-12 OVMax= 2.74D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.240374071     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0053
 KE= 3.991180627302D+02 PE=-1.752557413587D+03 EE= 5.450737597206D+02
 Leave Link  502 at Mon Sep 27 14:09:13 2021, MaxMem=  5637144576 cpu:            1917.9 elap:             239.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.73822004D+02

 Leave Link  801 at Mon Sep 27 14:09:13 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.50D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.68D-01 5.08D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.79D-02 2.07D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.88D-03 8.94D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.03D-04 1.45D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.85D-06 1.83D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.07D-07 4.08D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.56D-09 6.81D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.50D-11 1.06D-06.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 9.65D-13 1.25D-07.
      2 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.57D-14 1.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.883764D+02
      2  0.243195D+01  0.811216D+02
      3 -0.131470D+01  0.192505D+01  0.725229D+02
 Isotropic polarizability for W=    0.088559       80.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.778289D+02 -0.180412D+02  0.689497D+01
      2  -0.341247D+02  0.125191D+02 -0.346262D+01
      3  -0.437042D+02  0.552202D+01 -0.343235D+01
      4  -0.239251D+02  0.612205D+02 -0.173078D+02
      5   0.664719D+01 -0.179853D+02  0.326361D+02
      6  -0.547758D+01 -0.209004D+01 -0.101875D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.115711D+01 -0.211715D+00  0.167407D+01
      2   0.266018D+01 -0.522543D+01  0.232484D+02
      3   0.648968D+01 -0.358269D+02  0.565545D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.677495D+00  0.137258D+01  0.157095D+02
      2   0.247777D+00 -0.118302D+02  0.763402D+02
      3  -0.588393D+01 -0.953452D+02  0.125077D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.456363D-01 -0.409571D+00 -0.812739D+00
      2  -0.409571D+00 -0.708377D+00  0.769009D+00
      3  -0.812739D+00  0.769009D+00 -0.643518D-01
 OR G Eigenvalues:    -1.2351    -0.6660     1.1740  Iso=     0.2424
 Eigenvectors:
   (1)  -0.135695   0.782235  -0.608026
   (2)   0.767545   0.471054   0.434723
   (3)  -0.626468   0.407698   0.664320
 w=    0.088559 a.u., Optical Rotation Beta=      0.2424 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      104.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.76D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.01D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.63D-02 2.30D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.23D-03 3.81D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.57D-05 3.90D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.33D-07 4.49D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.14D-09 4.56D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.64D-11 3.72D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.04D-13 2.65D-08.
      2 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 8.56D-16 3.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.34D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.34D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.76D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883764D+02  0.243195D+01 -0.131470D+01
      2   0.243195D+01  0.811216D+02  0.192505D+01
      3  -0.131470D+01  0.192505D+01  0.725229D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.115711D+01 -0.211715D+00  0.167407D+01
      2   0.266018D+01 -0.522543D+01  0.232484D+02
      3   0.648968D+01 -0.358269D+02  0.565545D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.778289D+02 -0.180412D+02  0.689497D+01
      2  -0.341247D+02  0.125191D+02 -0.346262D+01
      3  -0.437042D+02  0.552202D+01 -0.343235D+01
      4  -0.239251D+02  0.612205D+02 -0.173078D+02
      5   0.664719D+01 -0.179853D+02  0.326361D+02
      6  -0.547758D+01 -0.209004D+01 -0.101875D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.810456D+00  0.423566D+01 -0.365690D+01  0.372791D+01 -0.111139D+01
      2   0.423566D+01 -0.132602D+01  0.495803D+00 -0.111139D+01 -0.288162D+01
      3  -0.365690D+01  0.495803D+00 -0.263416D+00  0.397444D+00 -0.245976D+00
                 6             7             8             9            10 
      1   0.397444D+00 -0.393920D+01  0.449544D+00 -0.418807D+00  0.556935D+00
      2  -0.245976D+00  0.449544D+00 -0.678498D+00  0.339978D+01 -0.394895D+01
      3   0.274968D+01 -0.418807D+00  0.339978D+01  0.433242D+01  0.207967D+01
                11            12            13            14            15 
      1  -0.394895D+01  0.207967D+01 -0.576045D+01  0.153200D+01 -0.942678D-02
      2   0.188770D+01 -0.914019D-01  0.153200D+01  0.381014D+01 -0.226488D+00
      3  -0.914019D-01  0.736539D+00 -0.942678D-02 -0.226488D+00 -0.224380D+01
                16            17            18            19            20 
      1   0.431343D+01 -0.589024D-01  0.112298D+01 -0.142662D+01  0.508589D+01
      2  -0.589024D-01  0.448651D+00 -0.264053D+01  0.508589D+01 -0.630514D-01
      3   0.112298D+01 -0.264053D+01 -0.741936D+01 -0.682081D+00  0.104169D+00
                21            22            23            24            25 
      1  -0.682081D+00  0.339456D+01 -0.100261D+01  0.250737D+00 -0.390458D+01
      2   0.104169D+00 -0.100261D+01 -0.248803D+01  0.225951D-01 -0.299153D+00
      3  -0.612601D+00  0.250737D+00  0.225951D-01  0.127721D+01 -0.720991D+00
                26            27            28            29            30 
      1  -0.299153D+00 -0.720991D+00 -0.380790D+00 -0.206325D+01 -0.336883D+00
      2  -0.169225D+01  0.154699D+01 -0.206325D+01  0.110296D+01  0.974163D+00
      3   0.154699D+01  0.608169D+01 -0.336883D+00  0.974163D+00  0.191525D+01
                31            32            33            34            35 
      1  -0.191682D+01 -0.148279D+00  0.125826D+01 -0.311087D+01  0.423274D+00
      2  -0.148279D+00 -0.928360D+00  0.404082D+00  0.423274D+00 -0.670051D-01
      3   0.125826D+01  0.404082D+00 -0.188886D+00  0.266530D+01 -0.183102D+00
                36            37            38            39            40 
      1   0.266530D+01  0.528935D+01  0.210050D+01 -0.178352D+01  0.181679D+01
      2  -0.183102D+00  0.210050D+01  0.141444D+01 -0.253253D+00  0.891637D+00
      3  -0.395502D+01 -0.178352D+01 -0.253253D+00 -0.162990D+00 -0.688670D+00
                41            42            43            44            45 
      1   0.891637D+00 -0.688670D+00 -0.360587D+01 -0.142647D+01 -0.211103D+01
      2  -0.170273D+01 -0.177689D+01 -0.142647D+01 -0.265617D+01 -0.155323D+01
      3  -0.177689D+01 -0.580252D+00 -0.211103D+01 -0.155323D+01 -0.416328D+01
                46            47            48            49            50 
      1  -0.999081D-01  0.315925D+01 -0.301546D+01  0.380816D+01 -0.170055D+01
      2   0.315925D+01 -0.962768D+00  0.360033D+00 -0.170055D+01 -0.532343D+01
      3  -0.301546D+01  0.360033D+00 -0.179646D+01  0.523503D+00 -0.387765D+00
                51            52            53            54            55 
      1   0.523503D+00 -0.469071D+01  0.286193D+00 -0.268407D+01  0.261080D+01
      2  -0.387765D+00  0.286193D+00 -0.508913D+00  0.232229D+01 -0.223683D+01
      3   0.250805D+01 -0.268407D+01  0.232229D+01  0.510302D+01  0.111390D+01
                56            57            58            59            60 
      1  -0.223683D+01  0.111390D+01 -0.926328D+00  0.238395D+01 -0.809067D+00
      2   0.299943D+01 -0.502380D+00  0.238395D+01  0.348357D+01  0.450838D+00
      3  -0.502380D+00  0.238985D+01 -0.809067D+00  0.450838D+00 -0.130572D+01
                61            62            63            64            65 
      1   0.169905D+01 -0.113176D+01  0.249586D+01 -0.493235D+01  0.684992D+00
      2  -0.113176D+01  0.473528D+00 -0.142340D+01  0.684992D+00 -0.172926D+01
      3   0.249586D+01 -0.142340D+01 -0.293227D+01  0.329133D+01 -0.804231D+00
                66            67            68            69            70 
      1   0.329133D+01  0.166972D+01 -0.127082D+01 -0.698864D+00  0.595921D+01
      2  -0.804231D+00 -0.127082D+01  0.210765D+01  0.198699D+01  0.200310D+00
      3  -0.274730D+01 -0.698864D+00  0.198699D+01  0.713471D+00 -0.345610D+01
                71            72            73            74            75 
      1   0.200310D+00 -0.345610D+01  0.653619D+00 -0.653318D+00 -0.984601D+00
      2   0.324424D+01  0.878310D+00 -0.653318D+00  0.347852D+00  0.275867D-02
      3   0.878310D+00  0.880276D+01 -0.984601D+00  0.275867D-02  0.909617D+00
                76            77            78            79            80 
      1  -0.922712D+00  0.208822D+00 -0.331278D-01 -0.141433D+01  0.120264D+00
      2   0.208822D+00  0.818160D-01 -0.999122D+00  0.120264D+00 -0.146128D+01
      3  -0.331278D-01 -0.999122D+00 -0.733191D+00  0.320871D+00 -0.250501D+00
                81            82            83            84            85 
      1   0.320871D+00 -0.389416D+00  0.913446D+00  0.697231D+00  0.117392D+01
      2  -0.250501D+00  0.913446D+00 -0.424081D+00  0.155158D-01 -0.251586D+00
      3  -0.713947D+01  0.697231D+00  0.155158D-01 -0.220923D+00  0.485097D-01
                86            87            88            89            90 
      1  -0.251586D+00  0.485097D-01  0.144306D+01 -0.328791D-01  0.897313D-02
      2   0.327058D+00  0.127614D+01 -0.328791D-01  0.198564D+01  0.120042D+01
      3   0.127614D+01  0.147161D+01  0.897313D-02  0.120042D+01  0.753812D+01
                91            92            93            94            95 
      1  -0.829427D+01 -0.365383D+01 -0.595341D+00 -0.284683D+01 -0.206962D+01
      2  -0.365383D+01 -0.281465D+01 -0.371867D+00 -0.206962D+01 -0.210029D+01
      3  -0.595341D+00 -0.371867D+00 -0.137298D+01 -0.112325D+00 -0.331990D+00
                96            97            98            99           100 
      1  -0.112325D+00  0.233099D+01  0.113046D+01 -0.692273D+00 -0.197393D+01
      2  -0.331990D+00  0.113046D+01  0.724796D+00 -0.344160D+00  0.235956D+01
      3  -0.652402D+00 -0.692273D+00 -0.344160D+00 -0.130816D-01 -0.120571D+01
               101           102           103           104           105 
      1   0.235956D+01 -0.120571D+01  0.217489D+01 -0.219871D+01  0.104566D+01
      2  -0.322039D+01  0.137677D+01 -0.219871D+01  0.447843D+01 -0.148013D+01
      3   0.137677D+01 -0.140167D+01  0.104566D+01 -0.148013D+01  0.137937D+01
               106           107           108           109           110 
      1  -0.222566D+01  0.163801D+01 -0.152180D+01 -0.309026D+00  0.660318D+00
      2   0.163801D+01 -0.311984D+01  0.195926D+01  0.660318D+00 -0.877559D+00
      3  -0.152180D+01  0.195926D+01 -0.213975D+01  0.276130D+00 -0.544553D+00
               111           112           113           114           115 
      1   0.276130D+00  0.699288D+00 -0.375640D+00 -0.507063D+00  0.156161D+01
      2  -0.544553D+00 -0.375640D+00  0.150786D+01  0.855511D+00 -0.429909D+00
      3  -0.844165D+00 -0.507063D+00  0.855511D+00  0.121413D+01 -0.949997D+00
               116           117           118           119           120 
      1  -0.429909D+00 -0.949997D+00  0.703242D+01 -0.163801D+01  0.227240D+01
      2   0.298218D+01  0.198968D+01 -0.163801D+01  0.137218D+01 -0.521217D+00
      3   0.198968D+01  0.474630D+01  0.227240D+01 -0.521217D+00  0.186551D+01
               121           122           123           124           125 
      1  -0.328612D+01  0.167093D+01 -0.712285D+00  0.437784D+01 -0.677483D+00
      2   0.167093D+01 -0.850200D+00  0.727388D+00 -0.677483D+00  0.112191D+01
      3  -0.712285D+00  0.727388D+00 -0.112235D+01  0.225942D+01 -0.856467D+00
               126           127           128           129           130 
      1   0.225942D+01  0.108923D+01 -0.461292D+00 -0.833373D+00 -0.131108D+01
      2  -0.856467D+00 -0.461292D+00  0.258142D+00  0.100301D+00  0.605498D+00
      3   0.162330D+01 -0.833373D+00  0.100301D+00  0.897427D+00  0.456637D+00
               131           132           133           134           135 
      1   0.605498D+00  0.456637D+00 -0.248377D+01  0.168027D+00  0.242628D+01
      2  -0.332256D+00 -0.100279D+01  0.168027D+00 -0.154022D+01 -0.937007D+00
      3  -0.100279D+01 -0.161131D+01  0.242628D+01 -0.937007D+00 -0.692027D+01
               136           137           138           139           140 
      1   0.522681D+00  0.121384D+01  0.298702D+00  0.287437D+01  0.196501D+01
      2   0.121384D+01  0.120386D+01 -0.508838D-01  0.196501D+01  0.749757D+01
      3   0.298702D+00 -0.508838D-01  0.353628D+00 -0.147926D+00 -0.396657D-01
               141           142           143           144           145 
      1  -0.147926D+00  0.580224D+00  0.186405D-01  0.691645D+00 -0.507038D+01
      2  -0.396657D-01  0.186405D-01  0.207278D+00  0.650780D+00 -0.194812D+01
      3   0.988343D+00  0.691645D+00  0.650780D+00 -0.382233D+00  0.164814D+01
               146           147           148           149           150 
      1  -0.194812D+01  0.164814D+01 -0.156747D+01 -0.151998D+01  0.583874D+00
      2  -0.291062D+01  0.898315D+00 -0.151998D+01 -0.188541D+01  0.841592D+00
      3   0.898315D+00 -0.144723D+01  0.583874D+00  0.841592D+00 -0.100044D+01
               151           152           153           154           155 
      1   0.200815D+01  0.723825D+00 -0.110938D+01 -0.720623D-01 -0.842420D+00
      2   0.723825D+00  0.160572D+01 -0.135169D+01 -0.842420D+00  0.218461D+00
      3  -0.110938D+01 -0.135169D+01  0.116339D+01 -0.454622D+00  0.205511D-01
               156           157           158           159           160 
      1  -0.454622D+00 -0.641629D+00  0.157163D+00 -0.170467D-01 -0.116053D+01
      2   0.205511D-01  0.157163D+00 -0.162044D+01 -0.136373D+01  0.135765D+00
      3   0.153674D+00 -0.170467D-01 -0.136373D+01 -0.157345D+01  0.220426D+00
               161           162           163           164           165 
      1   0.135765D+00  0.220426D+00  0.438326D+01 -0.296743D+01  0.187097D+01
      2  -0.324483D+01 -0.261490D+01 -0.296743D+01  0.352339D+01 -0.120860D+01
      3  -0.261490D+01 -0.586709D+01  0.187097D+01 -0.120860D+01  0.164823D+01
               166           167           168           169           170 
      1  -0.216015D+01  0.223417D+01 -0.828829D+00  0.226194D+01 -0.123775D+01
      2   0.223417D+01 -0.318131D+01  0.128940D+01 -0.123775D+01  0.217506D+01
      3  -0.828829D+00  0.128940D+01 -0.129006D+01  0.145268D+01 -0.179254D+01
               171 
      1   0.145268D+01
      2  -0.179254D+01
      3   0.154082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.694770D+01  0.560301D+00 -0.690912D-01  0.158466D+00 -0.347615D+01
      2  -0.425169D+01 -0.115553D-01  0.230747D+01 -0.186113D+00  0.358567D+00
      3  -0.770280D+01 -0.121807D+02  0.763848D+01 -0.570607D+01  0.572307D+01
                 6             7             8             9            10 
      1   0.426419D+01 -0.738070D+00  0.108690D+02  0.968139D+01  0.645506D-01
      2   0.281492D+01 -0.144410D+01  0.357996D+01  0.476887D+01  0.336744D+01
      3  -0.615204D+00  0.820678D+01 -0.769667D+00 -0.349405D+01  0.538300D+01
                11            12            13            14            15 
      1   0.621121D-01  0.223371D+00 -0.509011D+00  0.218120D+01 -0.333703D+01
      2  -0.121134D+00  0.329581D+01 -0.931895D+00 -0.319910D+00 -0.290406D+01
      3  -0.394198D+01 -0.540898D+00  0.226216D+01 -0.612884D+01  0.492842D+00
                16            17            18            19            20 
      1   0.189172D+00  0.312369D+01 -0.257085D+01 -0.173753D+01 -0.156849D+01
      2  -0.301853D+01 -0.347242D+01 -0.904121D+01  0.283872D+01 -0.718814D+00
      3   0.149184D+01 -0.324997D+00  0.327673D+01  0.757279D+00 -0.355806D+01
                21            22            23            24            25 
      1  -0.440144D+00 -0.108429D+00  0.356693D+01 -0.957497D+00  0.661435D+00
      2   0.225324D+01  0.207105D+00 -0.226832D+01  0.118449D+01 -0.749953D+01
      3   0.101436D+01  0.611318D+00 -0.338412D+01  0.124212D+01 -0.319633D+01
                26            27            28            29            30 
      1   0.401142D+01 -0.336220D+01  0.414618D+00  0.244437D+01  0.249005D+01
      2  -0.216047D+00  0.346810D+00 -0.621609D+01  0.573855D+00 -0.228445D+01
      3   0.122511D+01 -0.470013D+00 -0.927610D+01  0.486878D+01 -0.155496D+01
                31            32            33            34            35 
      1  -0.368031D+00 -0.638589D+01 -0.599457D+01  0.171555D+01 -0.296776D+01
      2   0.368845D+01  0.225339D+01 -0.176865D+01 -0.222473D+01 -0.445349D+00
      3   0.144348D+02  0.874852D+01 -0.214835D+01 -0.814526D+01 -0.786573D+01
                36            37            38            39            40 
      1   0.501900D+01 -0.210072D+01  0.699938D+00 -0.723699D+00 -0.746387D+00
      2   0.938940D+01  0.631305D+01  0.186853D+01  0.147116D+01 -0.899240D+00
      3  -0.167102D+01  0.233382D+01 -0.489986D+00  0.917201D+00  0.257702D+01
                41            42            43            44            45 
      1   0.198352D+01 -0.233644D+01  0.225412D+01  0.560963D+01 -0.281428D+01
      2   0.308941D+01  0.120195D+01 -0.525937D+01  0.944124D+00  0.806267D+01
      3  -0.508376D+01 -0.260382D+01  0.301493D+01 -0.199096D+01 -0.170043D+01
                46            47            48            49            50 
      1   0.484367D+00  0.687089D+00  0.446715D-01  0.146764D+01  0.206701D+01
      2  -0.100741D+02  0.144383D+01 -0.446626D+01  0.244472D+01 -0.153751D+01
      3  -0.802409D+01  0.195857D+01 -0.200929D+01  0.100710D+02  0.173079D+02
                51            52            53            54            55 
      1  -0.277185D+01  0.101808D+01  0.104153D+01 -0.210426D+01 -0.130887D+01
      2   0.698019D+01 -0.123348D+02  0.643405D+01  0.137912D+02  0.145211D+01
      3   0.515339D+00 -0.350288D+01  0.122094D+01 -0.769918D+01  0.741798D+01
                56            57            58            59            60 
      1   0.262156D+01 -0.730951D+01  0.189517D+01 -0.364417D+01 -0.103602D+01
      2   0.589891D+00  0.426731D+01  0.490760D+00  0.158244D+01  0.261482D+00
      3  -0.112402D+02  0.236603D+01  0.240325D+01  0.668018D+01 -0.204685D+01
                61            62            63            64            65 
      1  -0.702496D+01  0.848002D+01  0.697323D+01 -0.148571D+00 -0.381413D+01
      2  -0.679240D+00  0.416591D+00 -0.902135D+00  0.331273D+00  0.164214D+01
      3   0.297472D+01 -0.245345D+01  0.734457D+01  0.183087D+01 -0.740544D+01
                66            67            68            69            70 
      1  -0.186304D-01 -0.241830D+00  0.157094D+01 -0.103568D+01 -0.906869D+00
      2   0.823457D+01  0.122362D+00 -0.462450D+01 -0.112832D+01 -0.366387D+01
      3  -0.590431D+00 -0.219890D+01  0.643879D+00  0.427220D+01  0.444895D+01
                71            72            73            74            75 
      1   0.731411D+01 -0.871120D+00  0.952259D+00 -0.484043D+00  0.257815D-01
      2  -0.226415D+01 -0.161109D+02  0.701466D+00 -0.309307D+00  0.431454D+00
      3   0.777981D+01  0.242569D+01  0.168280D+00 -0.896485D+00 -0.619999D+00
                76            77            78            79            80 
      1  -0.644981D-01  0.752363D+00 -0.913411D-01 -0.282698D+00  0.387654D+01
      2  -0.777467D+00  0.144703D+00 -0.357018D+00 -0.379576D+01  0.154878D+00
      3   0.138897D+01  0.116622D+00 -0.758006D-01 -0.486676D-01  0.245690D+00
                81            82            83            84            85 
      1   0.359297D+01  0.110439D+01 -0.657001D+00 -0.970657D-02 -0.289507D+00
      2   0.245743D+00  0.159812D+01 -0.565397D+00  0.184155D+00 -0.143042D+01
      3  -0.363723D+00 -0.121604D+01 -0.662243D+00 -0.109009D+00  0.144756D+01
                86            87            88            89            90 
      1   0.109762D+01 -0.319429D+00 -0.470119D+00  0.428534D+01  0.185124D+01
      2   0.199056D+01  0.176013D+01 -0.411850D+01  0.194254D+01  0.919257D+01
      3  -0.502170D+00 -0.136034D+01  0.329465D+00 -0.216917D+01 -0.139246D+01
                91            92            93            94            95 
      1   0.294492D+01  0.192466D+01 -0.136342D+01  0.177665D+01  0.148817D+01
      2  -0.542439D+01 -0.246586D+01  0.365733D+01 -0.275464D+01 -0.146455D+01
      3   0.120249D+00 -0.449512D+01 -0.694247D+00 -0.769206D+00 -0.299165D+01
                96            97            98            99           100 
      1  -0.518212D+00 -0.900079D+00 -0.175462D+00  0.753588D+00  0.238516D+01
      2   0.165045D+01  0.187663D+01  0.869579D+00 -0.167962D+01 -0.181227D+01
      3   0.210251D+00  0.584998D+00  0.165903D+01 -0.294961D+00 -0.598339D+01
               101           102           103           104           105 
      1  -0.245484D+01  0.421251D+01 -0.236573D+01  0.222660D+01 -0.375436D+01
      2   0.310117D+00  0.604750D+00  0.782677D+00 -0.404272D+00 -0.269599D+00
      3   0.425481D+01 -0.303413D+01  0.738097D+01 -0.516040D+01  0.288703D+01
               106           107           108           109           110 
      1   0.348494D+01 -0.253480D+01  0.445633D+01 -0.923469D+00  0.890200D+00
      2  -0.176590D+01  0.302132D+00  0.281128D-01  0.710325D+00  0.727676D-01
      3  -0.646270D+01  0.389168D+01 -0.407387D+01 -0.124326D+01  0.246550D+00
               111           112           113           114           115 
      1   0.305775D+01  0.104284D+01 -0.278143D+01 -0.341393D+01  0.316937D+01
      2  -0.302220D+00  0.297506D+00  0.262081D+00 -0.182848D+00 -0.271647D+01
      3   0.638237D+00  0.172989D+01 -0.146440D+01 -0.138791D+01  0.452657D+01
               116           117           118           119           120 
      1  -0.310848D+01 -0.123494D+02 -0.263908D+00  0.438187D+00  0.297474D+00
      2   0.758498D-01  0.836659D+00  0.695316D+01 -0.194531D+01  0.791084D+01
      3  -0.134656D+01 -0.336868D+01  0.578837D+01 -0.681151D+01  0.244345D+01
               121           122           123           124           125 
      1  -0.166754D+00 -0.460177D+00 -0.704563D+00 -0.133990D+00  0.145627D+01
      2  -0.213181D+01  0.226814D+01 -0.448241D+01  0.537503D+01 -0.281715D+01
      3  -0.397835D+01  0.371731D+01 -0.218299D+01  0.272662D+01 -0.448355D+01
               126           127           128           129           130 
      1   0.975910D-01  0.455278D+00 -0.236974D+00 -0.479931D+00  0.179531D-01
      2   0.563713D+01 -0.227231D+01  0.124165D+00  0.374321D+01  0.203539D+00
      3   0.314123D+01  0.161681D+01 -0.175573D+01 -0.655158D+00 -0.756043D+00
               131           132           133           134           135 
      1   0.940269D+00 -0.248536D+00 -0.600063D+00  0.362868D+01  0.196164D+01
      2  -0.255333D+01 -0.459893D+01  0.289835D+01 -0.288954D+01 -0.194803D+02
      3   0.114116D+01  0.244796D+01 -0.567081D+00  0.506875D+01  0.383109D+01
               136           137           138           139           140 
      1  -0.366739D+00 -0.369890D+00 -0.560663D+00 -0.185361D+00 -0.167249D+01
      2   0.928005D+00 -0.703263D-01  0.138028D+01  0.181669D-01  0.318259D+00
      3  -0.363744D+01 -0.265036D+01  0.318275D+00  0.191598D+00 -0.228513D+02
               141           142           143           144           145 
      1  -0.254089D+01 -0.588046D+00  0.691035D+00  0.209650D+00  0.297941D+01
      2   0.352787D+01  0.412618D+00  0.167295D+01 -0.109212D+01  0.457301D+01
      3  -0.362601D-01  0.467451D+00 -0.500506D+00 -0.102093D+01  0.157231D+02
               146           147           148           149           150 
      1  -0.113630D+00 -0.377615D+01  0.458188D+00  0.100604D+01 -0.268300D+01
      2   0.106957D+01 -0.242167D+00  0.108895D+01  0.141145D+01 -0.354345D+00
      3   0.431801D+01 -0.454966D+01  0.645749D+01  0.415896D+01 -0.221772D+01
               151           152           153           154           155 
      1  -0.250204D+01 -0.736955D+00  0.181245D+01 -0.104830D+01 -0.397736D-01
      2  -0.336516D+01 -0.121975D+01  0.862671D+00 -0.564858D+00  0.176837D+00
      3  -0.568221D+01 -0.212783D+01  0.363791D+01  0.153320D+01  0.435779D+00
               156           157           158           159           160 
      1   0.109327D+00  0.248097D-01 -0.286296D+01 -0.519013D+01  0.330676D+00
      2   0.771382D+00 -0.303331D+00 -0.126106D+01 -0.140491D+01 -0.244627D+01
      3   0.708710D+00  0.239976D+01  0.119405D+01  0.135282D+01  0.320606D+01
               161           162           163           164           165 
      1  -0.295593D+01 -0.140818D+02  0.306086D+01 -0.589643D+00  0.429000D+01
      2  -0.255241D+01 -0.603887D+01  0.190839D+00 -0.701613D+00  0.304407D+01
      3   0.346731D+01  0.266332D+01 -0.680697D+01 -0.556257D+00 -0.264900D+01
               166           167           168           169           170 
      1  -0.113800D+01  0.144020D+01 -0.359264D+01  0.254070D+01 -0.134624D+01
      2   0.706789D-01  0.754438D+00 -0.193039D+01 -0.419405D+00 -0.173118D+01
      3   0.424185D+01 -0.649725D+00  0.598473D+00 -0.437326D+01 -0.525889D+00
               171 
      1   0.270688D+01
      2   0.183956D+01
      3  -0.771211D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978427D+01  0.830791D+01 -0.768571D+01  0.562619D+01 -0.115783D+02
      2  -0.130886D+02 -0.135894D+01  0.318567D+01  0.884713D-01  0.164567D+02
      3   0.330430D+01 -0.694897D+01  0.450004D+01 -0.571466D+01 -0.487837D+01
      4   0.673248D+01 -0.183294D+02  0.145069D+02 -0.160142D+02 -0.179454D+00
      5  -0.724335D+01  0.743057D+01 -0.444273D+01  0.503927D+01 -0.164457D+01
      6   0.178900D+02 -0.246063D+01  0.109619D+01 -0.210266D+01  0.302655D+01
                 6             7             8             9            10 
      1   0.104313D+01 -0.826089D+01  0.200645D+01  0.662002D+01 -0.117048D+02
      2   0.707333D+00  0.236670D+01  0.112689D+01 -0.993732D+01  0.854629D+01
      3  -0.175047D+01  0.589419D+01 -0.313334D+01  0.331730D+01  0.315854D+01
      4  -0.224120D+01  0.136186D+02 -0.407888D+01  0.822493D+01 -0.967817D+01
      5   0.636188D+01 -0.533227D+01  0.791190D+01  0.925470D+01  0.825633D+01
      6  -0.114693D+02  0.203440D+01 -0.158518D+02 -0.162804D+02 -0.309270D+01
                11            12            13            14            15 
      1  -0.104088D+02  0.623720D+01 -0.123456D+02  0.123159D+02  0.181006D+01
      2   0.509818D+01 -0.485036D+01  0.694584D+01 -0.121617D+02  0.116569D+01
      3   0.531062D+01 -0.138684D+01  0.539979D+01 -0.154185D+00 -0.297574D+01
      4   0.652081D+01 -0.967216D+00  0.743921D+01  0.667580D+01 -0.225141D+00
      5  -0.424152D+00  0.136974D+01 -0.665802D+00  0.566998D-02 -0.675170D+01
      6   0.820079D+00 -0.871791D+00  0.990967D+00 -0.302684D+00  0.691881D-02
                16            17            18            19            20 
      1   0.107403D+02  0.136118D+01  0.662524D+01 -0.126053D+02 -0.586388D+01
      2  -0.477451D+01  0.301993D+01  0.579297D+01  0.114069D+02  0.693492D+01
      3  -0.596579D+01 -0.438111D+01 -0.124182D+02  0.119846D+01 -0.107105D+01
      4  -0.154387D+01 -0.173285D+00 -0.648228D+01 -0.186446D+01  0.139528D+01
      5   0.734928D+01 -0.628685D+01 -0.177878D+02 -0.323632D+01 -0.653356D+00
      6  -0.883060D+00  0.493101D+01 -0.161504D+01 -0.166116D+00 -0.180442D+01
                21            22            23            24            25 
      1  -0.124869D+01  0.414727D+01  0.578961D+01  0.110146D+01 -0.358081D+01
      2  -0.442229D+00 -0.451333D+01 -0.154504D+02  0.212251D+01 -0.888273D+00
      3   0.169092D+01  0.366052D+00  0.966075D+01 -0.322397D+01  0.446908D+01
      4   0.187692D+00 -0.119358D+02 -0.433372D+01 -0.814427D-01  0.314039D+01
      5   0.184320D+01  0.769935D+00 -0.249470D+00  0.181001D+01  0.623984D+00
      6   0.502027D+00  0.476528D+00  0.984168D+00 -0.200291D+01  0.147703D+01
                26            27            28            29            30 
      1   0.465891D+01  0.493222D+01  0.369330D+00  0.567840D+01 -0.103916D+01
      2  -0.330973D+01  0.915154D+01  0.561913D+01 -0.297842D+01 -0.401233D+01
      3  -0.134918D+01 -0.140838D+02 -0.598846D+01 -0.269999D+01  0.505149D+01
      4  -0.168601D+01  0.936979D+00  0.525744D+01 -0.238190D+01 -0.645189D+01
      5   0.172447D+01  0.236522D+01  0.511426D+01 -0.511298D+01 -0.171503D+02
      6   0.314196D+01  0.487608D+01 -0.302061D+01  0.455064D+00 -0.342285D+01
                31            32            33            34            35 
      1   0.956129D+01  0.218922D+01 -0.266831D+01  0.123220D+02  0.953211D+00
      2  -0.461098D+01  0.316783D+00  0.513287D+01 -0.706393D+01 -0.640792D+01
      3  -0.495030D+01 -0.250601D+01 -0.246456D+01 -0.525810D+01  0.545471D+01
      4   0.461586D+01 -0.365511D+01 -0.117380D+01 -0.938545D+01  0.461647D+01
      5  -0.120385D+02 -0.201328D+00 -0.546443D+01 -0.233231D+02 -0.172591D+01
      6  -0.175059D+01 -0.726824D+01  0.804117D+00 -0.360034D+01 -0.708712D+01
                36            37            38            39            40 
      1  -0.557454D+01 -0.181113D+02 -0.974939D+01  0.729011D+01 -0.127886D+02
      2   0.108675D+02  0.278827D+01  0.326947D+01 -0.531332D+01  0.450582D+01
      3  -0.529298D+01  0.153231D+02  0.647993D+01 -0.197679D+01  0.828275D+01
      4   0.873153D+00 -0.143930D+02 -0.406618D+01  0.346424D+01  0.857649D+00
      5   0.161331D+02  0.778904D+01  0.110439D+01  0.101715D+02  0.496771D+01
      6  -0.261853D+01  0.218813D+01  0.249631D+01  0.180420D+01  0.306675D+01
                41            42            43            44            45 
      1  -0.124969D+02 -0.254476D+01  0.134575D+02  0.578725D+00 -0.295289D+01
      2   0.129648D+02  0.124172D+01 -0.971888D+01  0.935959D+00 -0.947805D+01
      3  -0.467870D+00  0.130304D+01 -0.373863D+01 -0.151468D+01  0.124309D+02
      4   0.768187D+01  0.791989D+01  0.111076D+02  0.100131D+02  0.526578D+01
      5   0.735715D+01  0.576436D+01  0.185951D+02  0.835984D+01  0.222300D+02
      6   0.753367D+01  0.846383D+01  0.449322D+01  0.110582D+02  0.870395D+01
                46            47            48            49            50 
      1  -0.456849D+00  0.191507D+02 -0.193876D+02  0.215373D+02 -0.729500D+01
      2  -0.475556D+00 -0.117954D+02  0.953481D+01 -0.148006D+02 -0.717470D+00
      3   0.932404D+00 -0.735537D+01  0.985282D+01 -0.673673D+01  0.801247D+01
      4   0.192824D+02 -0.499984D+01  0.201540D+01 -0.972594D+01 -0.253276D+02
      5  -0.213925D+02  0.264462D+01 -0.102463D+02  0.363495D+01 -0.400228D+01
      6   0.321056D-01  0.116413D+00  0.834405D+00 -0.632563D+00 -0.397808D+00
                51            52            53            54            55 
      1   0.531117D+01 -0.251985D+02  0.398097D+01 -0.857274D+01  0.160911D+02
      2  -0.689796D+00  0.107069D+02 -0.378925D+00  0.124221D+02 -0.132721D+02
      3  -0.462138D+01  0.144915D+02 -0.360205D+01 -0.384936D+01 -0.281899D+01
      4  -0.223488D+01  0.304796D+01 -0.116529D+01  0.124839D+02  0.754059D+01
      5   0.143079D+02 -0.171235D+02  0.131482D+02  0.256182D+02 -0.113339D+01
      6   0.100285D+01  0.157970D+01 -0.111534D+01 -0.141028D+01  0.582301D+01
                56            57            58            59            60 
      1  -0.698871D+01  0.676260D+00 -0.683455D+01 -0.140741D+02 -0.492968D+00
      2   0.110579D+02 -0.129340D+01  0.128478D+02  0.276036D+02  0.201999D+01
      3  -0.406916D+01  0.617136D+00 -0.601328D+01 -0.135295D+02 -0.152703D+01
      4  -0.487675D+01  0.442419D+01  0.476688D+01  0.152174D+02 -0.295908D+01
      5   0.199013D+01  0.155129D+01  0.166685D+01 -0.193526D+01  0.191293D+01
      6  -0.433895D+01  0.125552D+02 -0.481454D+01  0.348434D+01 -0.521017D+00
                61            62            63            64            65 
      1   0.291830D+01  0.137790D+01  0.368729D+01  0.259834D+02 -0.136688D+01
      2  -0.259958D+01  0.218483D+01 -0.585776D+01 -0.190741D+02 -0.101425D+01
      3  -0.318719D+00 -0.356273D+01  0.217047D+01 -0.690935D+01  0.238113D+01
      4   0.482947D+01 -0.296501D+01  0.109929D+02 -0.686801D+01  0.108132D+02
      5   0.347399D+01  0.393051D+01 -0.166507D+01 -0.204382D+02  0.519781D+01
      6   0.134130D+02 -0.390326D+01 -0.123245D+02  0.143264D+01 -0.334684D+01
                66            67            68            69            70 
      1  -0.911257D+01 -0.678260D+01 -0.156567D+01  0.985098D+00 -0.150979D+02
      2   0.116155D+02  0.480183D+01  0.392236D+01 -0.112374D+01  0.153104D+02
      3  -0.250292D+01  0.198077D+01 -0.235669D+01  0.138640D+00 -0.212445D+00
      4   0.582323D+01  0.104813D+02 -0.559361D+01 -0.851072D+01  0.416876D+01
      5   0.231520D+02  0.489799D+01 -0.975109D+01 -0.229729D+01  0.271880D+02
      6  -0.228326D+00 -0.320217D+01  0.267121D+01  0.828954D+01 -0.116879D+01
                71            72            73            74            75 
      1  -0.351371D+01 -0.282444D+01  0.110578D+01  0.149421D+00  0.105072D+01
      2   0.492283D+01 -0.210563D+02 -0.395107D+01 -0.107331D-02  0.989602D+00
      3  -0.140912D+01  0.238808D+02  0.284529D+01 -0.148348D+00 -0.204032D+01
      4  -0.999273D+01 -0.719664D+01  0.340441D+00  0.146925D+01 -0.641625D+00
      5  -0.409392D+01 -0.398868D+02 -0.126411D+01  0.129741D+00  0.534029D+01
      6   0.927242D+01  0.610330D+00 -0.903959D+00 -0.760149D+00  0.431758D+00
                76            77            78            79            80 
      1   0.370281D+00 -0.361094D+01 -0.821264D+00  0.623068D-01  0.808257D+00
      2   0.415893D-01  0.100015D+01 -0.195316D+01  0.136475D+01 -0.283060D+01
      3  -0.411870D+00  0.261078D+01  0.277442D+01 -0.142705D+01  0.202234D+01
      4   0.170828D+01 -0.259169D+00 -0.348631D+00 -0.736806D+00 -0.909426D-01
      5   0.168149D+00 -0.718003D+00 -0.804186D+00  0.430940D+01  0.450197D-01
      6  -0.253166D+00  0.394724D+00  0.505324D+01  0.416126D-01  0.401069D+01
                81            82            83            84            85 
      1  -0.150203D+02  0.192114D+01  0.218449D+01  0.226704D+01  0.292863D+01
      2  -0.141218D+02 -0.403542D+01 -0.932394D+00 -0.470896D+00 -0.180500D+01
      3   0.291421D+02  0.211428D+01 -0.125209D+01 -0.179614D+01 -0.112364D+01
      4   0.530129D+00  0.208182D+01  0.703033D+00  0.479675D+00  0.109409D+01
      5  -0.184442D+01  0.106592D+01  0.656530D+00  0.505956D+01  0.452025D+00
      6  -0.535570D+01  0.722997D+00 -0.312913D+00 -0.461617D+00  0.194221D+00
                86            87            88            89            90 
      1  -0.510196D+01 -0.247554D+01  0.393794D+01 -0.147120D+01 -0.152886D+02
      2   0.170694D+01 -0.143439D+01 -0.235778D+01 -0.301334D+01 -0.140539D+02
      3   0.339503D+01  0.390993D+01 -0.158015D+01  0.448455D+01  0.293425D+02
      4   0.643426D+00  0.279899D+01  0.653496D+00  0.365886D+01  0.334766D+01
      5   0.311223D+01  0.346151D+01  0.368736D+01  0.295571D+01  0.171961D+02
      6   0.298570D+01  0.689307D+01  0.155406D+00  0.456230D+01  0.281455D+01
                91            92            93            94            95 
      1   0.423472D+02  0.154780D+02  0.106252D+01  0.950660D+01  0.646625D+01
      2  -0.179719D+02 -0.465615D+01 -0.158692D+01 -0.148109D+01  0.944820D+00
      3  -0.243753D+02 -0.108218D+02  0.524408D+00 -0.802551D+01 -0.741107D+01
      4   0.246481D+02  0.159309D+02  0.177297D+01  0.145556D+02  0.120695D+02
      5   0.801454D+01  0.365965D+01  0.663217D+01  0.235206D+01  0.238464D+01
      6   0.159759D+01  0.179471D+01  0.179575D+01  0.142954D+01  0.128925D+01
                96            97            98            99           100 
      1   0.587035D+00 -0.113700D+02 -0.472291D+01  0.241057D+01 -0.226485D+01
      2  -0.827860D+00  0.355385D+01  0.502860D+00 -0.108377D+01  0.673699D+01
      3   0.240825D+00  0.781614D+01  0.422005D+01 -0.132680D+01 -0.447213D+01
      4   0.711399D+00 -0.764882D+01 -0.510724D+01  0.276667D+01 -0.992161D+01
      5   0.285575D+01  0.425183D+01  0.191553D+01 -0.353177D+00  0.353070D+01
      6   0.198883D+01  0.231452D+01  0.182539D+01 -0.481397D+00 -0.700293D+01
               101           102           103           104           105 
      1   0.782012D+01 -0.305010D+01  0.486097D+01 -0.118904D+02  0.422535D+01
      2  -0.139379D+02  0.448321D+01 -0.944204D+01  0.203962D+02 -0.663141D+01
      3   0.611775D+01 -0.143311D+01  0.458107D+01 -0.850579D+01  0.240606D+01
      4   0.138101D+02 -0.637403D+01  0.122370D+02 -0.116739D+02  0.538715D+01
      5  -0.354673D+01  0.410871D+01 -0.202414D+01  0.313620D+01 -0.179944D+01
      6   0.916929D+01 -0.847965D+01  0.680343D+01 -0.100807D+02  0.874263D+01
               106           107           108           109           110 
      1  -0.388460D+01  0.785288D+01 -0.645831D+01 -0.153748D+01  0.269319D+01
      2   0.467117D+01 -0.100908D+02  0.488895D+01  0.195295D+01 -0.405197D+01
      3  -0.786565D+00  0.223792D+01  0.156936D+01 -0.415470D+00  0.135878D+01
      4  -0.886903D+01  0.787726D+01 -0.692669D+01 -0.118808D+01  0.439199D+01
      5   0.411494D+01 -0.327143D+01  0.373720D+01 -0.103806D+01  0.334694D+00
      6  -0.836500D+01  0.121755D+02 -0.112116D+02  0.965269D+00 -0.346180D+01
               111           112           113           114           115 
      1   0.160964D+01  0.867488D+00 -0.490107D+01 -0.270971D+01  0.912985D+00
      2  -0.213188D+01 -0.165732D+01  0.706643D+01  0.383741D+01 -0.128930D+01
      3   0.522239D+00  0.789831D+00 -0.216536D+01 -0.112770D+01  0.376314D+00
      4   0.974490D+00  0.417000D+01 -0.218897D+01 -0.244141D+01  0.507644D+01
      5   0.192004D+01  0.212099D+00 -0.110597D+01 -0.928125D+00  0.167028D+01
      6  -0.470103D+01 -0.282342D+01  0.456307D+01  0.781369D+01 -0.496126D+01
               116           117           118           119           120 
      1  -0.915535D+01 -0.902149D+01  0.523423D+02 -0.105185D+02  0.155437D+02
      2   0.108310D+02  0.380703D+01 -0.280311D+02  0.509483D+01 -0.892631D+01
      3  -0.167561D+01  0.521446D+01 -0.243112D+02  0.542364D+01 -0.661738D+01
      4  -0.325668D+01 -0.378980D+01 -0.110590D+02  0.110230D+02 -0.344140D+01
      5  -0.115002D+01 -0.181543D+01  0.182187D+02 -0.393660D+01  0.149869D+02
      6   0.111767D+02  0.223347D+02 -0.221762D+00  0.516922D+00 -0.147434D+00
               121           122           123           124           125 
      1  -0.201832D+02  0.784251D+01 -0.432967D+01  0.256789D+02 -0.365253D+01
      2   0.105246D+02 -0.195344D+01  0.205761D+01 -0.151973D+02  0.186520D+01
      3   0.965855D+01 -0.588907D+01  0.227207D+01 -0.104816D+02  0.178733D+01
      4   0.127857D+02 -0.707262D+01  0.495883D+01 -0.501566D+01  0.727186D+01
      5  -0.619699D+01  0.513759D+01 -0.799285D+01  0.184948D+02 -0.576692D+01
      6   0.123660D+01 -0.153227D+01  0.193721D+01 -0.871418D+00  0.226789D+01
               126           127           128           129           130 
      1   0.108876D+02  0.706608D+01 -0.303021D+01 -0.472957D+01 -0.694681D+01
      2  -0.988227D+01 -0.606297D+01  0.208196D+01  0.400474D+01  0.456924D+01
      3  -0.100534D+01 -0.100311D+01  0.948251D+00  0.724836D+00  0.237757D+01
      4  -0.516299D+01 -0.279889D+01  0.277882D+01  0.943374D+00  0.469447D+01
      5   0.130267D+02 -0.574021D+01  0.124528D+01  0.104183D+02  0.354802D+01
      6  -0.107711D+01  0.819464D+00 -0.984591D-01  0.137979D+00 -0.171564D+01
               131           132           133           134           135 
      1   0.243779D+00 -0.375139D+00 -0.117178D+02 -0.953267D+00  0.925099D+00
      2  -0.223690D+00 -0.205888D+01  0.106959D+02 -0.915926D+00 -0.168545D+02
      3  -0.200895D-01  0.243402D+01  0.102196D+01  0.186919D+01  0.159294D+02
      4  -0.197375D+01 -0.572061D+01  0.133000D+01 -0.847462D+01 -0.606619D+01
      5  -0.520846D+01 -0.892748D+01  0.187593D+02 -0.578812D+01 -0.389878D+02
      6   0.252200D+01  0.441646D+01 -0.108311D+01  0.493123D+01  0.201402D+01
               136           137           138           139           140 
      1   0.353833D+01  0.466658D+01  0.195132D+01  0.141383D+02  0.152670D+01
      2   0.108079D+01  0.536287D-01 -0.109464D+01 -0.464146D+01  0.123403D+02
      3  -0.461912D+01 -0.472021D+01 -0.856678D+00 -0.949683D+01 -0.138670D+02
      4   0.625250D+01  0.113536D+02 -0.286871D+00  0.166094D+02  0.393094D+02
      5   0.172125D+01 -0.574596D+00  0.272957D+01 -0.108447D+01  0.120392D+01
      6  -0.255082D+00 -0.628668D+00  0.900540D+00  0.112140D+00 -0.978062D+00
               141           142           143           144           145 
      1  -0.690152D+00  0.331868D+01 -0.574116D+00  0.915876D+00 -0.723535D+01
      2   0.713458D+00 -0.152226D+01  0.474275D+00 -0.110318D+01  0.743006D+01
      3  -0.233064D-01 -0.179641D+01  0.998412D-01  0.187307D+00 -0.194704D+00
      4   0.133878D+00  0.902617D-01  0.762653D+00  0.306872D+01  0.148843D+02
      5   0.630916D+01  0.502774D+01  0.361729D+01 -0.208793D+01 -0.280054D+01
      6   0.416904D+01  0.110939D+01  0.482855D+01  0.611130D+00 -0.846242D+01
               146           147           148           149           150 
      1  -0.119996D+02  0.575666D+01 -0.696382D+01 -0.838456D+01  0.383464D+01
      2   0.144949D+02 -0.329017D+01  0.849767D+01  0.117302D+02 -0.415393D+01
      3  -0.249539D+01 -0.246649D+01 -0.153385D+01 -0.334561D+01  0.319287D+00
      4   0.741160D+01 -0.586176D+01  0.837920D+01  0.479668D+01 -0.199069D+01
      5  -0.197777D+01  0.230093D+01 -0.116412D+01 -0.866391D+00 -0.117700D+00
      6  -0.645022D+01  0.789282D+01 -0.429029D+01 -0.569755D+01  0.655351D+01
               151           152           153           154           155 
      1   0.551583D+01  0.614744D+01 -0.707102D+01 -0.971312D+00 -0.192706D+01
      2  -0.265496D+01 -0.652317D+01  0.331232D+01  0.144133D+01  0.636869D+00
      3  -0.286087D+01  0.375727D+00  0.375870D+01 -0.470015D+00  0.129019D+01
      4  -0.684785D+01 -0.124794D+01  0.229804D+01 -0.164271D+01  0.533883D+01
      5   0.321198D+01 -0.547649D+00 -0.203861D+01 -0.124677D+01  0.560132D+00
      6   0.555098D+01  0.841161D+01 -0.587850D+01  0.162486D+01  0.884025D-01
               156           157           158           159           160 
      1  -0.134899D+01 -0.100690D+01 -0.622772D+01 -0.495398D+01 -0.249168D+01
      2   0.831795D+00 -0.966958D-01  0.878431D+01  0.673299D+01  0.115045D+01
      3   0.517200D+00  0.110360D+01 -0.255659D+01 -0.177902D+01  0.134122D+01
      4   0.184644D+01  0.447958D+01 -0.353384D+01 -0.239207D+01  0.486162D+01
      5   0.370109D+01 -0.109349D+00 -0.259985D+01 -0.302481D+01  0.443473D+01
      6  -0.421698D+00 -0.406321D-01  0.782781D+01  0.115885D+02 -0.117597D+01
               161           162           163           164           165 
      1  -0.999314D+01 -0.107256D+02  0.121736D+02 -0.103325D+01  0.240433D+01
      2   0.127350D+02  0.383666D+01  0.424450D-01 -0.961754D+01 -0.356401D+00
      3  -0.274185D+01  0.688892D+01 -0.122161D+02  0.106508D+02 -0.204793D+01
      4  -0.656834D+01 -0.573535D+01 -0.251742D+02  0.228354D+02 -0.104887D+02
      5  -0.564991D+01 -0.122901D+02  0.105079D+02 -0.680231D+01  0.907682D+01
      6   0.153929D+02  0.266298D+02 -0.997046D+01  0.820585D+01 -0.921643D+01
               166           167           168           169           170 
      1  -0.131359D+01 -0.332847D+01  0.188018D+01  0.361388D+01  0.302693D+01
      2  -0.653179D+01  0.134354D+02 -0.429169D+01 -0.876899D+00 -0.641167D+01
      3   0.784538D+01 -0.101069D+02  0.241151D+01 -0.273698D+01  0.338474D+01
      4   0.171781D+02 -0.181703D+02  0.709483D+01 -0.118771D+02  0.106068D+02
      5  -0.442565D+01  0.594528D+01 -0.467554D+01  0.896252D+01 -0.689579D+01
      6   0.600079D+01 -0.910010D+01  0.879269D+01 -0.762833D+01  0.110928D+02
               171 
      1  -0.184261D+01
      2   0.100124D+01
      3   0.841370D+00
      4  -0.942889D+01
      5   0.788123D+01
      6  -0.841644D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 14:51:36 2021, MaxMem=  5637144576 cpu:           20339.3 elap:            2542.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99893 -18.94193 -14.15889 -10.19919 -10.10625
 Alpha  occ. eigenvalues --  -10.07400 -10.05129 -10.04308  -1.22699  -1.13389
 Alpha  occ. eigenvalues --   -1.02017  -0.92235  -0.83148  -0.80435  -0.73922
 Alpha  occ. eigenvalues --   -0.68379  -0.63827  -0.60846  -0.60155  -0.59287
 Alpha  occ. eigenvalues --   -0.57154  -0.53300  -0.53064  -0.50013  -0.49547
 Alpha  occ. eigenvalues --   -0.48653  -0.45306  -0.44104  -0.43579  -0.42846
 Alpha  occ. eigenvalues --   -0.39932  -0.35742
 Alpha virt. eigenvalues --    0.02938   0.03980   0.04024   0.04643   0.05824
 Alpha virt. eigenvalues --    0.06492   0.06672   0.06836   0.07551   0.07831
 Alpha virt. eigenvalues --    0.08996   0.09630   0.10554   0.12146   0.12680
 Alpha virt. eigenvalues --    0.13074   0.13809   0.14519   0.14838   0.14935
 Alpha virt. eigenvalues --    0.15327   0.16128   0.17483   0.17813   0.18094
 Alpha virt. eigenvalues --    0.18424   0.19162   0.20012   0.20078   0.20539
 Alpha virt. eigenvalues --    0.20815   0.22154   0.22861   0.23382   0.24461
 Alpha virt. eigenvalues --    0.25048   0.25529   0.26788   0.27316   0.28097
 Alpha virt. eigenvalues --    0.28949   0.29264   0.29865   0.30145   0.31347
 Alpha virt. eigenvalues --    0.31647   0.32477   0.33507   0.33853   0.34265
 Alpha virt. eigenvalues --    0.34389   0.36051   0.36844   0.38290   0.38861
 Alpha virt. eigenvalues --    0.40210   0.41015   0.41770   0.42003   0.42919
 Alpha virt. eigenvalues --    0.43132   0.43767   0.44697   0.45196   0.45912
 Alpha virt. eigenvalues --    0.46226   0.46977   0.47630   0.47952   0.48876
 Alpha virt. eigenvalues --    0.49273   0.49930   0.51321   0.52004   0.53098
 Alpha virt. eigenvalues --    0.53785   0.54873   0.55633   0.56050   0.56179
 Alpha virt. eigenvalues --    0.57260   0.58335   0.58535   0.58872   0.59381
 Alpha virt. eigenvalues --    0.60252   0.61463   0.62160   0.62901   0.64405
 Alpha virt. eigenvalues --    0.66228   0.66574   0.67516   0.68710   0.69072
 Alpha virt. eigenvalues --    0.70090   0.70613   0.71791   0.72103   0.73615
 Alpha virt. eigenvalues --    0.74726   0.75696   0.76549   0.76863   0.77622
 Alpha virt. eigenvalues --    0.77870   0.79242   0.80298   0.80892   0.82848
 Alpha virt. eigenvalues --    0.84207   0.84607   0.85854   0.86875   0.87985
 Alpha virt. eigenvalues --    0.88348   0.89554   0.90226   0.91795   0.91879
 Alpha virt. eigenvalues --    0.92999   0.95440   0.95950   0.97789   0.99447
 Alpha virt. eigenvalues --    1.01710   1.02806   1.04317   1.05361   1.05939
 Alpha virt. eigenvalues --    1.07513   1.08671   1.09772   1.10713   1.11509
 Alpha virt. eigenvalues --    1.15643   1.17729   1.19004   1.19750   1.20711
 Alpha virt. eigenvalues --    1.21309   1.23045   1.24775   1.25653   1.26931
 Alpha virt. eigenvalues --    1.27879   1.30609   1.33505   1.35334   1.37748
 Alpha virt. eigenvalues --    1.39433   1.42513   1.45219   1.45881   1.48528
 Alpha virt. eigenvalues --    1.51396   1.54638   1.55302   1.58486   1.59725
 Alpha virt. eigenvalues --    1.62793   1.63841   1.65174   1.66711   1.67002
 Alpha virt. eigenvalues --    1.70054   1.71379   1.73179   1.75385   1.76721
 Alpha virt. eigenvalues --    1.79573   1.80095   1.81297   1.82322   1.84652
 Alpha virt. eigenvalues --    1.87724   1.88802   1.89706   1.91923   1.92944
 Alpha virt. eigenvalues --    1.93762   1.96503   1.98042   1.98845   2.00573
 Alpha virt. eigenvalues --    2.01260   2.03548   2.04678   2.06151   2.08318
 Alpha virt. eigenvalues --    2.09673   2.11629   2.12459   2.13653   2.16621
 Alpha virt. eigenvalues --    2.17527   2.19008   2.20255   2.22142   2.24266
 Alpha virt. eigenvalues --    2.26984   2.27859   2.28392   2.30190   2.31748
 Alpha virt. eigenvalues --    2.34469   2.35830   2.36712   2.39703   2.42189
 Alpha virt. eigenvalues --    2.43218   2.46376   2.50825   2.52274   2.52953
 Alpha virt. eigenvalues --    2.55989   2.57755   2.59394   2.62765   2.64164
 Alpha virt. eigenvalues --    2.67063   2.69483   2.70067   2.73346   2.74063
 Alpha virt. eigenvalues --    2.77700   2.79283   2.83467   2.84883   2.90974
 Alpha virt. eigenvalues --    2.93494   2.97061   2.98535   3.07051   3.13559
 Alpha virt. eigenvalues --    3.16974   3.20627   3.37094   3.41500   3.41752
 Alpha virt. eigenvalues --    3.46264   3.47337   3.48220   3.50307   3.53802
 Alpha virt. eigenvalues --    3.55746   3.60548   3.68948   3.82277   4.00717
 Alpha virt. eigenvalues --    4.07822
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.863878  -0.258558  -0.188104  -0.035591   0.001679  -0.186878
     2  C   -0.258558   8.972585  -1.490861   0.209989   0.054164  -0.089235
     3  C   -0.188104  -1.490861  10.492283  -2.437794   0.054541   0.122925
     4  C   -0.035591   0.209989  -2.437794   7.945144  -0.194430  -0.183506
     5  O    0.001679   0.054164   0.054541  -0.194430   8.286119   0.008666
     6  C   -0.186878  -0.089235   0.122925  -0.183506   0.008666   4.809840
     7  N    0.059969  -0.143133  -0.506556   0.215321  -0.002263  -0.010744
     8  O    0.010137  -0.052438   0.270715  -0.093389   0.010820   0.012510
     9  H    0.040290   0.201309  -1.181915   0.102821  -0.052443  -0.058687
    10  H    0.053853  -1.299978   0.299721  -0.025126  -0.007642  -0.032923
    11  H   -0.000971  -0.018787   0.076951  -0.095119   0.276107   0.002183
    12  H   -0.000268  -0.007963   0.106240  -0.053693   0.003918   0.007545
    13  H   -0.007610   0.097423  -0.123405  -0.105878  -0.008339   0.001897
    14  H    0.069036   0.070765  -0.052512  -0.004301   0.001568   0.182093
    15  H   -0.102712  -0.105867   0.116537  -0.031253  -0.000667   0.310017
    16  H   -0.050948   0.241304  -0.085835   0.015475  -0.000791   0.181182
    17  H    0.263090   0.159764   0.020503   0.035926  -0.010579  -0.078749
    18  H    0.270772   0.045419  -0.194298   0.082582   0.000172  -0.099965
    19  H    0.108270   0.033421   0.018718  -0.026140  -0.001285   0.081948
               7          8          9         10         11         12
     1  C    0.059969   0.010137   0.040290   0.053853  -0.000971  -0.000268
     2  C   -0.143133  -0.052438   0.201309  -1.299978  -0.018787  -0.007963
     3  C   -0.506556   0.270715  -1.181915   0.299721   0.076951   0.106240
     4  C    0.215321  -0.093389   0.102821  -0.025126  -0.095119  -0.053693
     5  O   -0.002263   0.010820  -0.052443  -0.007642   0.276107   0.003918
     6  C   -0.010744   0.012510  -0.058687  -0.032923   0.002183   0.007545
     7  N    6.817577  -0.030370   0.152604   0.000881  -0.002498   0.207889
     8  O   -0.030370   8.436921  -0.041460   0.016280  -0.039671   0.000541
     9  H    0.152604  -0.041460   2.285200   0.068427   0.008600  -0.084547
    10  H    0.000881   0.016280   0.068427   2.632142  -0.000145   0.014522
    11  H   -0.002498  -0.039671   0.008600  -0.000145   0.602640  -0.000095
    12  H    0.207889   0.000541  -0.084547   0.014522  -0.000095   0.940327
    13  H    0.347583  -0.008946   0.054206  -0.024191  -0.000569  -0.115139
    14  H    0.050209  -0.000211   0.004572  -0.125683  -0.000234   0.001610
    15  H   -0.011402   0.000857  -0.034470   0.109053   0.000071   0.000365
    16  H   -0.055804   0.001495  -0.005972  -0.062415   0.000640   0.001459
    17  H    0.006853   0.013043  -0.001360  -0.085991   0.001840  -0.002744
    18  H    0.007961  -0.009662   0.026135   0.086575   0.002231   0.001563
    19  H   -0.006473   0.003330   0.004248  -0.042101   0.000470   0.000295
              13         14         15         16         17         18
     1  C   -0.007610   0.069036  -0.102712  -0.050948   0.263090   0.270772
     2  C    0.097423   0.070765  -0.105867   0.241304   0.159764   0.045419
     3  C   -0.123405  -0.052512   0.116537  -0.085835   0.020503  -0.194298
     4  C   -0.105878  -0.004301  -0.031253   0.015475   0.035926   0.082582
     5  O   -0.008339   0.001568  -0.000667  -0.000791  -0.010579   0.000172
     6  C    0.001897   0.182093   0.310017   0.181182  -0.078749  -0.099965
     7  N    0.347583   0.050209  -0.011402  -0.055804   0.006853   0.007961
     8  O   -0.008946  -0.000211   0.000857   0.001495   0.013043  -0.009662
     9  H    0.054206   0.004572  -0.034470  -0.005972  -0.001360   0.026135
    10  H   -0.024191  -0.125683   0.109053  -0.062415  -0.085991   0.086575
    11  H   -0.000569  -0.000234   0.000071   0.000640   0.001840   0.002231
    12  H   -0.115139   0.001610   0.000365   0.001459  -0.002744   0.001563
    13  H    0.874399   0.001377  -0.000856  -0.005469   0.004400  -0.001335
    14  H    0.001377   1.712541  -0.332914  -0.397530   0.016501  -0.024099
    15  H   -0.000856  -0.332914   1.565229  -0.338419  -0.001668   0.004763
    16  H   -0.005469  -0.397530  -0.338419   1.730587  -0.014650   0.000030
    17  H    0.004400   0.016501  -0.001668  -0.014650   1.520937  -0.272744
    18  H   -0.001335  -0.024099   0.004763   0.000030  -0.272744   1.533600
    19  H   -0.002203  -0.000858  -0.032065   0.022441  -0.395720  -0.322824
              19
     1  C    0.108270
     2  C    0.033421
     3  C    0.018718
     4  C   -0.026140
     5  O   -0.001285
     6  C    0.081948
     7  N   -0.006473
     8  O    0.003330
     9  H    0.004248
    10  H   -0.042101
    11  H    0.000470
    12  H    0.000295
    13  H   -0.002203
    14  H   -0.000858
    15  H   -0.032065
    16  H    0.022441
    17  H   -0.395720
    18  H   -0.322824
    19  H    1.736966
 Mulliken charges:
               1
     1  C    1.090666
     2  C   -0.619323
     3  C    0.682147
     4  C    0.678962
     5  O   -0.419314
     6  C    1.019880
     7  N   -0.097605
     8  O   -0.500500
     9  H   -0.487557
    10  H   -0.575258
    11  H    0.186355
    12  H   -0.021825
    13  H    0.022654
    14  H   -0.171931
    15  H   -0.114601
    16  H   -0.176784
    17  H   -0.178650
    18  H   -0.136878
    19  H   -0.180438
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.594700
     2  C   -1.194581
     3  C    0.194590
     4  C    0.678962
     5  O   -0.232959
     6  C    0.556565
     7  N   -0.096776
     8  O   -0.500500
 Electronic spatial extent (au):  <R**2>=           1058.9461
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.3890    Y=             -0.7198    Z=             -1.0748  Tot=              1.3508
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.7829   YY=            -48.7137   ZZ=            -52.2256
   XY=             -0.4065   XZ=              4.2360   YZ=             -0.9183
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.1245   YY=              1.1937   ZZ=             -2.3182
   XY=             -0.4065   XZ=              4.2360   YZ=             -0.9183
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.4635  YYY=              3.3886  ZZZ=             -2.5180  XYY=            -17.6046
  XXY=            -13.5537  XXZ=             -7.6282  XZZ=              3.0221  YZZ=              3.4133
  YYZ=              1.4203  XYZ=              2.3113
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -731.3613 YYYY=           -426.7837 ZZZZ=           -173.0808 XXXY=             37.6218
 XXXZ=             34.3813 YYYX=            -10.7683 YYYZ=              3.0762 ZZZX=              3.0621
 ZZZY=              2.4771 XXYY=           -190.1578 XXZZ=           -172.0696 YYZZ=            -94.2652
 XXYZ=             -0.4029 YYXZ=              6.8833 ZZXY=             -2.1144
 N-N= 4.071252170652D+02 E-N=-1.752557412918D+03  KE= 3.991180627302D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 14:51:37 2021, MaxMem=  5637144576 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6582    0.6573        1.2171    1.2160
 2     -0.6582   -0.6573       -0.9624   -0.9625       -3.6274   -3.6274
 3     -1.2171   -1.2160        7.9271    7.9268        0.9620    0.9625
 4      0.9624    0.9625       -0.0000    0.0000       -1.2153   -1.2160
 5     -4.2997   -4.2994        1.2153    1.2160        0.6562    0.6573
 6     -0.9620   -0.9625       -0.6562   -0.6573        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.9720   -1.9720        3.6479    3.6479
 2      2.8876    2.8876        0.0000    0.0000        3.6479    3.6479
 3      2.8876    2.8876       -1.9720   -1.9720        0.0000    0.0000
 4     -1.9720   -1.9720       -2.8876   -2.8876      -10.8822  -10.8822
 5     -3.6479   -3.6479       23.7803   23.7803        2.8876    2.8876
 6    -12.8981  -12.8981        3.6479    3.6479        1.9720    1.9720
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0064    0.0000       -2.6853   -2.6294       -4.8731   -4.8639
 2      2.6790    2.6294        3.8584    3.8501       14.5285   14.5096
 3      4.8544    4.8639      -31.6988  -31.7071       -3.8601   -3.8501
 4     -3.8555   -3.8501       -0.0190    0.0000        4.8602    4.8639
 5     17.1954   17.1975       -4.8564   -4.8639       -2.6126   -2.6294
 6      3.8447    3.8501        2.6202    2.6294       -0.0092    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0201    0.0000        8.1293    8.1638       -2.4432   -2.4485
 2     -8.1388   -8.1638      -12.5127  -12.5785        8.1732    8.1366
 3      2.4923    2.4485       13.5944   13.6251       12.6087   12.5785
 4     12.5679   12.5785        0.0080    0.0000        2.4299    2.4485
 5    -21.7978  -21.7618       -2.4875   -2.4485        8.1656    8.1638
 6    -12.5544  -12.5785       -8.1332   -8.1638       -0.0036    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.6041    9.5795       13.7778   13.7376        8.7470    8.7372
 2     28.5710   28.5844       23.5582   23.5632        8.7236    8.7372
 3     28.5935   28.5844       13.7571   13.7376       10.3552   10.3576
 4     -9.8080   -9.8256      -18.9962  -19.0049       22.3099   22.3054
 5      1.6231    1.6204       26.3541   26.3703       19.0419   19.0049
 6    -48.6798  -48.6757       -1.6405   -1.6204        9.8562    9.8256
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.1871                 0.2273                 0.4556
  Dep-P Fr= 1--      0.7447                 0.7498                 0.5692
  Dep-U Fr= 1--      0.8537                 0.8570                 0.7255
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0016
 Beta2  Fr= 1--      0.1689                 0.0325                 0.0551
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0017
 Gamma2 Fr= 1--      0.1972                 0.0217                 0.0587
 Delta2 Fr= 1--      0.2344                 0.0856                 0.0462
 Raman1 Fr= 1--       4.748                  0.909                  1.822
 ROA1   Fr= 1--      26.429                  4.825                  7.113
 CID1   Fr= 1--       5.566                  5.308                  3.903
 Raman2 Fr= 1--       2.027                  0.390                  0.661
 ROA2   Fr= 1--       2.857                 -0.163                  1.040
 CID2   Fr= 1--       1.410                 -0.419                  1.573
 Raman3 Fr= 1--       4.053                  0.779                  1.322
 ROA3   Fr= 1--      26.429                  4.825                  7.113
 CID3   Fr= 1--       6.520                  6.193                  5.380
 RC180  Fr= 1--       0.707                  0.714                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.1590                 0.0394                 0.2891
  Dep-P Fr= 1--      0.7448                 0.6213                 0.7010
  Dep-U Fr= 1--      0.8537                 0.7664                 0.8242
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0226                 0.0050                 0.0397
 AlphaG Fr= 1--      0.0002                -0.0011                 0.0011
 Gamma2 Fr= 1--      0.0139                 0.0291                -0.0605
 Delta2 Fr= 1--     -0.0003                 0.0266                -0.0471
 Raman1 Fr= 1--       0.636                  0.158                  1.156
 ROA1   Fr= 1--       1.330                  3.648                 -7.316
 CID1   Fr= 1--       2.091                 23.151                 -6.326
 Raman2 Fr= 1--       0.272                  0.060                  0.477
 ROA2   Fr= 1--       0.337                  0.487                 -1.076
 CID2   Fr= 1--       1.240                  8.063                 -2.258
 Raman3 Fr= 1--       0.543                  0.121                  0.953
 ROA3   Fr= 1--       1.330                  3.648                 -7.316
 CID3   Fr= 1--       2.449                 30.207                 -7.675
 RC180  Fr= 1--       0.707                  0.533                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3334                 0.3568                 1.0961
  Dep-P Fr= 1--      0.3741                 0.4936                 0.1265
  Dep-U Fr= 1--      0.5445                 0.6609                 0.2246
 Alpha2 Fr= 1--      0.0027                 0.0018                 0.0180
 Beta2  Fr= 1--      0.0303                 0.0393                 0.0410
 AlphaG Fr= 1--      0.0020                -0.0049                 0.0015
 Gamma2 Fr= 1--     -0.0322                 0.2630                -0.2147
 Delta2 Fr= 1--     -0.0587                 0.0853                -0.0098
 Raman1 Fr= 1--       1.334                  1.427                  4.385
 ROA1   Fr= 1--      -4.967                 27.977                -20.919
 CID1   Fr= 1--      -3.724                 19.603                 -4.771
 Raman2 Fr= 1--       0.363                  0.472                  0.492
 ROA2   Fr= 1--      -0.302                  5.630                 -5.074
 CID2   Fr= 1--      -0.832                 11.938                -10.305
 Raman3 Fr= 1--       0.726                  0.943                  0.985
 ROA3   Fr= 1--      -4.967                 27.977                -20.919
 CID3   Fr= 1--      -6.840                 29.660                -21.244
 RC180  Fr= 1--       0.089                  0.322                 -0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.0132                 0.7042                 3.6071
  Dep-P Fr= 1--      0.7273                 0.0552                 0.1362
  Dep-U Fr= 1--      0.8421                 0.1047                 0.2397
 Alpha2 Fr= 1--      0.0004                 0.0137                 0.0577
 Beta2  Fr= 1--      0.1422                 0.0123                 0.1441
 AlphaG Fr= 1--      0.0011                -0.0027                 0.0020
 Gamma2 Fr= 1--      0.0889                -0.0151                 0.0513
 Delta2 Fr= 1--      0.1566                 0.0194                 0.1419
 Raman1 Fr= 1--       4.053                  2.817                 14.428
 ROA1   Fr= 1--      13.547                 -0.831                  9.465
 CID1   Fr= 1--       3.343                 -0.295                  0.656
 Raman2 Fr= 1--       1.706                  0.147                  1.729
 ROA2   Fr= 1--       0.882                 -0.519                  0.095
 CID2   Fr= 1--       0.517                 -3.520                  0.055
 Raman3 Fr= 1--       3.413                  0.295                  3.458
 ROA3   Fr= 1--      13.547                 -0.831                  9.465
 CID3   Fr= 1--       3.969                 -2.820                  2.737
 RC180  Fr= 1--       0.684                 -0.791                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.4977                 5.6146                 3.7680
  Dep-P Fr= 1--      0.4462                 0.1163                 0.1525
  Dep-U Fr= 1--      0.6171                 0.2083                 0.2646
 Alpha2 Fr= 1--      0.0031                 0.0944                 0.0579
 Beta2  Fr= 1--      0.0512                 0.1949                 0.1661
 AlphaG Fr= 1--     -0.0215                 0.0099                 0.0499
 Gamma2 Fr= 1--     -0.1415                -0.8966                -0.2493
 Delta2 Fr= 1--     -0.1285                -0.3568                 0.4396
 Raman1 Fr= 1--       1.991                 22.458                 15.072
 ROA1   Fr= 1--     -17.699                -97.495                 -9.871
 CID1   Fr= 1--      -8.890                 -4.341                 -0.655
 Raman2 Fr= 1--       0.614                  2.339                  1.994
 ROA2   Fr= 1--      -2.368                -18.665                 -9.501
 CID2   Fr= 1--      -3.856                 -7.980                 -4.765
 Raman3 Fr= 1--       1.228                  4.678                  3.988
 ROA3   Fr= 1--     -17.699                -97.495                 -9.871
 CID3   Fr= 1--     -14.407                -20.841                 -2.475
 RC180  Fr= 1--       0.234                 -0.583                 -0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.1430                 3.7731                 1.6937
  Dep-P Fr= 1--      0.0695                 0.1832                 0.6942
  Dep-U Fr= 1--      0.1300                 0.3097                 0.8195
 Alpha2 Fr= 1--      0.1158                 0.0536                 0.0017
 Beta2  Fr= 1--      0.1331                 0.1947                 0.2313
 AlphaG Fr= 1--      0.0101                -0.0272                 0.0092
 Gamma2 Fr= 1--     -0.4797                 0.6441                 0.1672
 Delta2 Fr= 1--     -0.1084                 0.3274                -0.1352
 Raman1 Fr= 1--      24.572                 15.092                  6.775
 ROA1   Fr= 1--     -49.520                 72.307                 11.723
 CID1   Fr= 1--      -2.015                  4.791                  1.730
 Raman2 Fr= 1--       1.597                  2.337                  2.776
 ROA2   Fr= 1--     -10.645                 12.838                  5.094
 CID2   Fr= 1--      -6.667                  5.494                  1.835
 Raman3 Fr= 1--       3.193                  4.674                  5.552
 ROA3   Fr= 1--     -49.520                 72.307                 11.723
 CID3   Fr= 1--     -15.507                 15.471                  2.112
 RC180  Fr= 1--      -0.740                 -0.381                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.5710                 4.0623                 2.7552
  Dep-P Fr= 1--      0.4828                 0.6371                 0.4943
  Dep-U Fr= 1--      0.6512                 0.7783                 0.6616
 Alpha2 Fr= 1--      0.0030                 0.0083                 0.0140
 Beta2  Fr= 1--      0.0620                 0.5270                 0.3038
 AlphaG Fr= 1--     -0.0139                -0.0198                -0.0264
 Gamma2 Fr= 1--      0.4373                -0.0099                 0.0905
 Delta2 Fr= 1--      0.3682                 0.1711                -0.1291
 Raman1 Fr= 1--       2.284                 16.249                 11.021
 ROA1   Fr= 1--      53.768                  4.527                  4.552
 CID1   Fr= 1--      23.542                  0.279                  0.413
 Raman2 Fr= 1--       0.744                  6.324                  3.645
 ROA2   Fr= 1--       7.551                 -1.605                  3.204
 CID2   Fr= 1--      10.154                 -0.254                  0.879
 Raman3 Fr= 1--       1.487                 12.647                  7.291
 ROA3   Fr= 1--      53.768                  4.527                  4.552
 CID3   Fr= 1--      36.152                  0.358                  0.624
 RC180  Fr= 1--       0.302                  0.557                  0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      2.4107                 2.6136                 1.4007
  Dep-P Fr= 1--      0.1912                 0.4229                 0.6931
  Dep-U Fr= 1--      0.3210                 0.5945                 0.8187
 Alpha2 Fr= 1--      0.0335                 0.0178                 0.0014
 Beta2  Fr= 1--      0.1290                 0.2589                 0.1911
 AlphaG Fr= 1--      0.0175                 0.0082                -0.0063
 Gamma2 Fr= 1--     -0.3459                -0.8285                 0.4136
 Delta2 Fr= 1--     -0.0296                -1.0043                -0.0931
 Raman1 Fr= 1--       9.643                 10.454                  5.603
 ROA1   Fr= 1--     -34.157               -111.671                 36.722
 CID1   Fr= 1--      -3.542                -10.682                  6.554
 Raman2 Fr= 1--       1.548                  3.107                  2.294
 ROA2   Fr= 1--      -8.065                -11.849                 10.670
 CID2   Fr= 1--      -5.211                 -3.813                  4.652
 Raman3 Fr= 1--       3.096                  6.215                  4.587
 ROA3   Fr= 1--     -34.157               -111.671                 36.722
 CID3   Fr= 1--     -11.034                -17.969                  8.005
 RC180  Fr= 1--      -0.358                  0.189                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      4.3300                 1.3079                 2.3445
  Dep-P Fr= 1--      0.6462                 0.5964                 0.1265
  Dep-U Fr= 1--      0.7851                 0.7472                 0.2246
 Alpha2 Fr= 1--      0.0081                 0.0037                 0.0384
 Beta2  Fr= 1--      0.5666                 0.1629                 0.0878
 AlphaG Fr= 1--     -0.0194                -0.0048                 0.0219
 Gamma2 Fr= 1--      1.4288                -0.1259                 0.3029
 Delta2 Fr= 1--      0.8702                -0.0410                 0.1428
 Raman1 Fr= 1--      17.320                  5.232                  9.378
 ROA1   Fr= 1--     165.008                -13.404                 33.646
 CID1   Fr= 1--       9.527                 -2.562                  3.588
 Raman2 Fr= 1--       6.799                  1.955                  1.053
 ROA2   Fr= 1--      27.328                 -2.694                  6.127
 CID2   Fr= 1--       4.020                 -1.378                  5.818
 Raman3 Fr= 1--      13.598                  3.909                  2.106
 ROA3   Fr= 1--     165.008                -13.404                 33.646
 CID3   Fr= 1--      12.135                 -3.429                 15.974
 RC180  Fr= 1--       0.570                  0.494                 -0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      4.1785                 2.9453                 1.8453
  Dep-P Fr= 1--      0.6542                 0.7085                 0.7275
  Dep-U Fr= 1--      0.7910                 0.8294                 0.8422
 Alpha2 Fr= 1--      0.0072                 0.0021                 0.0007
 Beta2  Fr= 1--      0.5508                 0.4071                 0.2590
 AlphaG Fr= 1--      0.0093                 0.0122                -0.0029
 Gamma2 Fr= 1--     -0.7390                -0.3548                -0.5568
 Delta2 Fr= 1--     -0.7313                -0.2907                -0.3046
 Raman1 Fr= 1--      16.714                 11.781                  7.381
 ROA1   Fr= 1--     -94.347                -43.361                -63.203
 CID1   Fr= 1--      -5.645                 -3.681                 -8.563
 Raman2 Fr= 1--       6.610                  4.886                  3.108
 ROA2   Fr= 1--     -11.886                 -6.189                -10.927
 CID2   Fr= 1--      -1.798                 -1.267                 -3.516
 Raman3 Fr= 1--      13.220                  9.771                  6.217
 ROA3   Fr= 1--     -94.347                -43.361                -63.203
 CID3   Fr= 1--      -7.137                 -4.438                -10.167
 RC180  Fr= 1--       0.582                  0.659                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--      8.3033                 0.0358                 2.1613
  Dep-P Fr= 1--      0.7210                 0.7487                 0.7286
  Dep-U Fr= 1--      0.8379                 0.8563                 0.8430
 Alpha2 Fr= 1--      0.0041                 0.0000                 0.0008
 Beta2  Fr= 1--      1.1595                 0.0051                 0.3037
 AlphaG Fr= 1--     -0.0080                -0.0001                -0.0011
 Gamma2 Fr= 1--      1.7151                 0.0601                -0.2912
 Delta2 Fr= 1--      0.6604                 0.0042                 0.2072
 Raman1 Fr= 1--      33.213                  0.143                  8.645
 ROA1   Fr= 1--     185.777                  5.899                -21.325
 CID1   Fr= 1--       5.593                 41.221                 -2.467
 Raman2 Fr= 1--      13.914                  0.061                  3.644
 ROA2   Fr= 1--      35.878                  1.408                 -8.646
 CID2   Fr= 1--       2.578                 22.982                 -2.373
 Raman3 Fr= 1--      27.829                  0.123                  7.288
 ROA3   Fr= 1--     185.777                  5.899                -21.325
 CID3   Fr= 1--       6.676                 48.140                 -2.926
 RC180  Fr= 1--       0.676                  0.713                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.6312                 0.9110                 6.7880
  Dep-P Fr= 1--      0.7121                 0.7376                 0.7487
  Dep-U Fr= 1--      0.8318                 0.8490                 0.8563
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0002
 Beta2  Fr= 1--      0.0875                 0.1289                 0.9687
 AlphaG Fr= 1--      0.0006                -0.0027                -0.0016
 Gamma2 Fr= 1--     -0.0310                 0.2890                -0.4537
 Delta2 Fr= 1--      0.0929                 0.1902                 0.6245
 Raman1 Fr= 1--       2.525                  3.644                 27.152
 ROA1   Fr= 1--      -0.005                 33.827                -23.570
 CID1   Fr= 1--      -0.002                  9.283                 -0.868
 Raman2 Fr= 1--       1.050                  1.547                 11.625
 ROA2   Fr= 1--      -1.487                  5.413                -15.885
 CID2   Fr= 1--      -1.416                  3.500                 -1.366
 Raman3 Fr= 1--       2.100                  3.094                 23.250
 ROA3   Fr= 1--      -0.005                 33.827                -23.570
 CID3   Fr= 1--      -0.002                 10.934                 -1.014
 RC180  Fr= 1--       0.664                  0.698                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      6.3018                 0.4606                 2.1516
  Dep-P Fr= 1--      0.7490                 0.7428                 0.5957
  Dep-U Fr= 1--      0.8565                 0.8524                 0.7466
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0062
 Beta2  Fr= 1--      0.8996                 0.0654                 0.2677
 AlphaG Fr= 1--     -0.0005                 0.0001                -0.0043
 Gamma2 Fr= 1--     -0.5892                 0.5691                -0.2867
 Delta2 Fr= 1--     -0.3872                 0.1963                 0.0054
 Raman1 Fr= 1--      25.207                  1.842                  8.606
 ROA1   Fr= 1--     -68.958                 60.916                -27.349
 CID1   Fr= 1--      -2.736                 33.066                 -3.178
 Raman2 Fr= 1--      10.795                  0.785                  3.213
 ROA2   Fr= 1--     -11.044                 12.089                 -6.923
 CID2   Fr= 1--      -1.023                 15.396                 -2.155
 Raman3 Fr= 1--      21.590                  1.570                  6.426
 ROA3   Fr= 1--     -68.958                 60.916                -27.349
 CID3   Fr= 1--      -3.194                 38.790                 -4.256
 RC180  Fr= 1--       0.713                  0.705                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     12.4033               150.8953                28.3510
  Dep-P Fr= 1--      0.1311                 0.1702                 0.0558
  Dep-U Fr= 1--      0.2318                 0.2909                 0.1057
 Alpha2 Fr= 1--      0.2011                 2.2153                 0.5524
 Beta2  Fr= 1--      0.4792                 7.3151                 0.4993
 AlphaG Fr= 1--     -0.0273                 0.0486                 0.0145
 Gamma2 Fr= 1--      0.2770                -2.8911                -0.1809
 Delta2 Fr= 1--      0.0320                -3.1228                -0.5813
 Raman1 Fr= 1--      49.613                603.581                113.404
 ROA1   Fr= 1--      27.611               -377.476                -35.973
 CID1   Fr= 1--       0.557                 -0.625                 -0.317
 Raman2 Fr= 1--       5.751                 87.781                  5.992
 ROA2   Fr= 1--       6.391                -44.404                  0.308
 CID2   Fr= 1--       1.111                 -0.506                  0.051
 Raman3 Fr= 1--      11.502                175.561                 11.984
 ROA3   Fr= 1--      27.611               -377.476                -35.973
 CID3   Fr= 1--       2.401                 -2.150                 -3.002
 RC180  Fr= 1--      -0.536                 -0.418                 -0.789
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    219.0904                61.7170                36.5469
  Dep-P Fr= 1--      0.0054                 0.0720                 0.5703
  Dep-U Fr= 1--      0.0107                 0.1343                 0.7263
 Alpha2 Fr= 1--      4.8082                 1.1567                 0.1239
 Beta2  Fr= 1--      0.3891                 1.3810                 4.4243
 AlphaG Fr= 1--     -0.3536                 0.3379                 0.0551
 Gamma2 Fr= 1--      0.0615                 5.1333                14.2960
 Delta2 Fr= 1--      0.0852                 3.7259                 9.2740
 Raman1 Fr= 1--     876.362                246.868                146.188
 ROA1   Fr= 1--       8.628                612.028               1669.182
 CID1   Fr= 1--       0.010                  2.479                 11.418
 Raman2 Fr= 1--       4.669                 16.573                 53.092
 ROA2   Fr= 1--       0.794                 93.393                268.912
 CID2   Fr= 1--       0.170                  5.635                  5.065
 Raman3 Fr= 1--       9.338                 33.145                106.183
 ROA3   Fr= 1--       8.628                612.028               1669.182
 CID3   Fr= 1--       0.924                 18.465                 15.720
 RC180  Fr= 1--      -0.979                 -0.731                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     82.4601                56.7280                49.8338
  Dep-P Fr= 1--      0.5254                 0.7292                 0.5877
  Dep-U Fr= 1--      0.6889                 0.8434                 0.7403
 Alpha2 Fr= 1--      0.3597                 0.0202                 0.1510
 Beta2  Fr= 1--      9.4676                 7.9739                 6.1487
 AlphaG Fr= 1--      0.1867                -0.0507                 0.0029
 Gamma2 Fr= 1--    -16.7159                 3.3947                -2.5498
 Delta2 Fr= 1--    -10.8414                 3.1185                -0.9812
 Raman1 Fr= 1--     329.840                226.912                199.335
 ROA1   Fr= 1--   -1951.650                425.688               -276.181
 CID1   Fr= 1--      -5.917                  1.876                 -1.386
 Raman2 Fr= 1--     113.612                 95.687                 73.784
 ROA2   Fr= 1--    -314.450                 56.526                -53.346
 CID2   Fr= 1--      -2.768                  0.591                 -0.723
 Raman3 Fr= 1--     227.223                191.374                147.569
 ROA3   Fr= 1--   -1951.650                425.688               -276.181
 CID3   Fr= 1--      -8.589                  2.224                 -1.872
 RC180  Fr= 1--       0.378                  0.687                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    109.2549                51.7783               133.2342
  Dep-P Fr= 1--      0.0661                 0.6086                 0.2234
  Dep-U Fr= 1--      0.1239                 0.7567                 0.3652
 Alpha2 Fr= 1--      2.0769                 0.1349                 1.6991
 Beta2  Fr= 1--      2.2566                 6.5297                 8.1104
 AlphaG Fr= 1--      0.1597                 0.0971                -0.0770
 Gamma2 Fr= 1--      0.3387                -0.1114                -1.3414
 Delta2 Fr= 1--      0.1354                 0.2047                -0.7445
 Raman1 Fr= 1--     437.019                207.113                532.937
 ROA1   Fr= 1--      36.846                 -4.144               -152.600
 CID1   Fr= 1--       0.084                 -0.020                 -0.286
 Raman2 Fr= 1--      27.080                 78.356                 97.325
 ROA2   Fr= 1--       7.046                 -4.311                -26.238
 CID2   Fr= 1--       0.260                 -0.055                 -0.270
 Raman3 Fr= 1--      54.160                156.713                194.650
 ROA3   Fr= 1--      36.846                 -4.144               -152.600
 CID3   Fr= 1--       0.680                 -0.026                 -0.784
 RC180  Fr= 1--      -0.752                  0.513                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883764D+02  0.243195D+01 -0.131470D+01
      2   0.243195D+01  0.811216D+02  0.192505D+01
      3  -0.131470D+01  0.192505D+01  0.725229D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.115711D+01 -0.211715D+00  0.167407D+01
      2   0.266018D+01 -0.522543D+01  0.232484D+02
      3   0.648968D+01 -0.358269D+02  0.565545D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.778289D+02 -0.180412D+02  0.689497D+01
      2  -0.341247D+02  0.125191D+02 -0.346262D+01
      3  -0.437042D+02  0.552202D+01 -0.343235D+01
      4  -0.239251D+02  0.612205D+02 -0.173078D+02
      5   0.664719D+01 -0.179853D+02  0.326361D+02
      6  -0.547758D+01 -0.209004D+01 -0.101875D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.810456D+00  0.423566D+01 -0.365690D+01  0.372791D+01 -0.111139D+01
      2   0.423566D+01 -0.132602D+01  0.495803D+00 -0.111139D+01 -0.288162D+01
      3  -0.365690D+01  0.495803D+00 -0.263416D+00  0.397444D+00 -0.245976D+00
                 6             7             8             9            10 
      1   0.397444D+00 -0.393920D+01  0.449544D+00 -0.418807D+00  0.556935D+00
      2  -0.245976D+00  0.449544D+00 -0.678498D+00  0.339978D+01 -0.394895D+01
      3   0.274968D+01 -0.418807D+00  0.339978D+01  0.433242D+01  0.207967D+01
                11            12            13            14            15 
      1  -0.394895D+01  0.207967D+01 -0.576045D+01  0.153200D+01 -0.942678D-02
      2   0.188770D+01 -0.914019D-01  0.153200D+01  0.381014D+01 -0.226488D+00
      3  -0.914019D-01  0.736539D+00 -0.942678D-02 -0.226488D+00 -0.224380D+01
                16            17            18            19            20 
      1   0.431343D+01 -0.589024D-01  0.112298D+01 -0.142662D+01  0.508589D+01
      2  -0.589024D-01  0.448651D+00 -0.264053D+01  0.508589D+01 -0.630514D-01
      3   0.112298D+01 -0.264053D+01 -0.741936D+01 -0.682081D+00  0.104169D+00
                21            22            23            24            25 
      1  -0.682081D+00  0.339456D+01 -0.100261D+01  0.250737D+00 -0.390458D+01
      2   0.104169D+00 -0.100261D+01 -0.248803D+01  0.225951D-01 -0.299153D+00
      3  -0.612601D+00  0.250737D+00  0.225951D-01  0.127721D+01 -0.720991D+00
                26            27            28            29            30 
      1  -0.299153D+00 -0.720991D+00 -0.380790D+00 -0.206325D+01 -0.336883D+00
      2  -0.169225D+01  0.154699D+01 -0.206325D+01  0.110296D+01  0.974163D+00
      3   0.154699D+01  0.608169D+01 -0.336883D+00  0.974163D+00  0.191525D+01
                31            32            33            34            35 
      1  -0.191682D+01 -0.148279D+00  0.125826D+01 -0.311087D+01  0.423274D+00
      2  -0.148279D+00 -0.928360D+00  0.404082D+00  0.423274D+00 -0.670051D-01
      3   0.125826D+01  0.404082D+00 -0.188886D+00  0.266530D+01 -0.183102D+00
                36            37            38            39            40 
      1   0.266530D+01  0.528935D+01  0.210050D+01 -0.178352D+01  0.181679D+01
      2  -0.183102D+00  0.210050D+01  0.141444D+01 -0.253253D+00  0.891637D+00
      3  -0.395502D+01 -0.178352D+01 -0.253253D+00 -0.162990D+00 -0.688670D+00
                41            42            43            44            45 
      1   0.891637D+00 -0.688670D+00 -0.360587D+01 -0.142647D+01 -0.211103D+01
      2  -0.170273D+01 -0.177689D+01 -0.142647D+01 -0.265617D+01 -0.155323D+01
      3  -0.177689D+01 -0.580252D+00 -0.211103D+01 -0.155323D+01 -0.416328D+01
                46            47            48            49            50 
      1  -0.999082D-01  0.315925D+01 -0.301546D+01  0.380816D+01 -0.170055D+01
      2   0.315925D+01 -0.962768D+00  0.360033D+00 -0.170055D+01 -0.532343D+01
      3  -0.301546D+01  0.360033D+00 -0.179646D+01  0.523503D+00 -0.387765D+00
                51            52            53            54            55 
      1   0.523503D+00 -0.469071D+01  0.286193D+00 -0.268407D+01  0.261080D+01
      2  -0.387765D+00  0.286193D+00 -0.508913D+00  0.232229D+01 -0.223683D+01
      3   0.250805D+01 -0.268407D+01  0.232229D+01  0.510302D+01  0.111390D+01
                56            57            58            59            60 
      1  -0.223683D+01  0.111390D+01 -0.926328D+00  0.238395D+01 -0.809067D+00
      2   0.299943D+01 -0.502380D+00  0.238395D+01  0.348357D+01  0.450838D+00
      3  -0.502380D+00  0.238985D+01 -0.809067D+00  0.450838D+00 -0.130572D+01
                61            62            63            64            65 
      1   0.169905D+01 -0.113176D+01  0.249586D+01 -0.493235D+01  0.684992D+00
      2  -0.113176D+01  0.473528D+00 -0.142340D+01  0.684992D+00 -0.172926D+01
      3   0.249586D+01 -0.142340D+01 -0.293227D+01  0.329133D+01 -0.804231D+00
                66            67            68            69            70 
      1   0.329133D+01  0.166972D+01 -0.127082D+01 -0.698864D+00  0.595921D+01
      2  -0.804231D+00 -0.127082D+01  0.210765D+01  0.198699D+01  0.200310D+00
      3  -0.274730D+01 -0.698864D+00  0.198699D+01  0.713471D+00 -0.345610D+01
                71            72            73            74            75 
      1   0.200310D+00 -0.345610D+01  0.653619D+00 -0.653318D+00 -0.984601D+00
      2   0.324424D+01  0.878310D+00 -0.653318D+00  0.347852D+00  0.275867D-02
      3   0.878310D+00  0.880276D+01 -0.984601D+00  0.275867D-02  0.909617D+00
                76            77            78            79            80 
      1  -0.922712D+00  0.208822D+00 -0.331278D-01 -0.141433D+01  0.120264D+00
      2   0.208822D+00  0.818160D-01 -0.999122D+00  0.120264D+00 -0.146128D+01
      3  -0.331278D-01 -0.999122D+00 -0.733191D+00  0.320871D+00 -0.250501D+00
                81            82            83            84            85 
      1   0.320871D+00 -0.389417D+00  0.913446D+00  0.697231D+00  0.117392D+01
      2  -0.250501D+00  0.913446D+00 -0.424081D+00  0.155158D-01 -0.251586D+00
      3  -0.713947D+01  0.697231D+00  0.155158D-01 -0.220923D+00  0.485097D-01
                86            87            88            89            90 
      1  -0.251586D+00  0.485097D-01  0.144306D+01 -0.328791D-01  0.897313D-02
      2   0.327058D+00  0.127614D+01 -0.328791D-01  0.198564D+01  0.120042D+01
      3   0.127614D+01  0.147161D+01  0.897313D-02  0.120042D+01  0.753812D+01
                91            92            93            94            95 
      1  -0.829427D+01 -0.365383D+01 -0.595341D+00 -0.284683D+01 -0.206962D+01
      2  -0.365383D+01 -0.281465D+01 -0.371867D+00 -0.206962D+01 -0.210029D+01
      3  -0.595341D+00 -0.371867D+00 -0.137298D+01 -0.112325D+00 -0.331990D+00
                96            97            98            99           100 
      1  -0.112325D+00  0.233099D+01  0.113046D+01 -0.692273D+00 -0.197393D+01
      2  -0.331990D+00  0.113046D+01  0.724796D+00 -0.344160D+00  0.235956D+01
      3  -0.652402D+00 -0.692273D+00 -0.344160D+00 -0.130816D-01 -0.120571D+01
               101           102           103           104           105 
      1   0.235956D+01 -0.120571D+01  0.217489D+01 -0.219871D+01  0.104566D+01
      2  -0.322039D+01  0.137677D+01 -0.219871D+01  0.447843D+01 -0.148013D+01
      3   0.137677D+01 -0.140167D+01  0.104566D+01 -0.148013D+01  0.137937D+01
               106           107           108           109           110 
      1  -0.222566D+01  0.163801D+01 -0.152180D+01 -0.309026D+00  0.660318D+00
      2   0.163801D+01 -0.311984D+01  0.195926D+01  0.660318D+00 -0.877559D+00
      3  -0.152180D+01  0.195926D+01 -0.213975D+01  0.276130D+00 -0.544553D+00
               111           112           113           114           115 
      1   0.276130D+00  0.699288D+00 -0.375640D+00 -0.507063D+00  0.156161D+01
      2  -0.544553D+00 -0.375640D+00  0.150786D+01  0.855511D+00 -0.429909D+00
      3  -0.844165D+00 -0.507063D+00  0.855511D+00  0.121413D+01 -0.949997D+00
               116           117           118           119           120 
      1  -0.429909D+00 -0.949997D+00  0.703242D+01 -0.163801D+01  0.227240D+01
      2   0.298218D+01  0.198968D+01 -0.163801D+01  0.137218D+01 -0.521217D+00
      3   0.198968D+01  0.474630D+01  0.227240D+01 -0.521217D+00  0.186551D+01
               121           122           123           124           125 
      1  -0.328612D+01  0.167093D+01 -0.712285D+00  0.437784D+01 -0.677483D+00
      2   0.167093D+01 -0.850200D+00  0.727388D+00 -0.677483D+00  0.112191D+01
      3  -0.712285D+00  0.727388D+00 -0.112235D+01  0.225942D+01 -0.856467D+00
               126           127           128           129           130 
      1   0.225942D+01  0.108923D+01 -0.461292D+00 -0.833373D+00 -0.131108D+01
      2  -0.856467D+00 -0.461292D+00  0.258142D+00  0.100301D+00  0.605498D+00
      3   0.162330D+01 -0.833373D+00  0.100301D+00  0.897427D+00  0.456637D+00
               131           132           133           134           135 
      1   0.605498D+00  0.456637D+00 -0.248377D+01  0.168027D+00  0.242628D+01
      2  -0.332256D+00 -0.100279D+01  0.168027D+00 -0.154022D+01 -0.937007D+00
      3  -0.100279D+01 -0.161131D+01  0.242628D+01 -0.937007D+00 -0.692027D+01
               136           137           138           139           140 
      1   0.522681D+00  0.121384D+01  0.298702D+00  0.287437D+01  0.196501D+01
      2   0.121384D+01  0.120386D+01 -0.508838D-01  0.196501D+01  0.749757D+01
      3   0.298702D+00 -0.508838D-01  0.353628D+00 -0.147926D+00 -0.396657D-01
               141           142           143           144           145 
      1  -0.147926D+00  0.580224D+00  0.186405D-01  0.691645D+00 -0.507038D+01
      2  -0.396657D-01  0.186405D-01  0.207278D+00  0.650780D+00 -0.194812D+01
      3   0.988343D+00  0.691645D+00  0.650780D+00 -0.382233D+00  0.164814D+01
               146           147           148           149           150 
      1  -0.194812D+01  0.164814D+01 -0.156747D+01 -0.151998D+01  0.583874D+00
      2  -0.291062D+01  0.898315D+00 -0.151998D+01 -0.188541D+01  0.841592D+00
      3   0.898315D+00 -0.144723D+01  0.583874D+00  0.841592D+00 -0.100044D+01
               151           152           153           154           155 
      1   0.200815D+01  0.723825D+00 -0.110938D+01 -0.720623D-01 -0.842420D+00
      2   0.723825D+00  0.160572D+01 -0.135169D+01 -0.842420D+00  0.218461D+00
      3  -0.110938D+01 -0.135169D+01  0.116339D+01 -0.454622D+00  0.205511D-01
               156           157           158           159           160 
      1  -0.454622D+00 -0.641629D+00  0.157163D+00 -0.170467D-01 -0.116053D+01
      2   0.205511D-01  0.157163D+00 -0.162044D+01 -0.136373D+01  0.135765D+00
      3   0.153674D+00 -0.170467D-01 -0.136373D+01 -0.157345D+01  0.220426D+00
               161           162           163           164           165 
      1   0.135765D+00  0.220426D+00  0.438326D+01 -0.296743D+01  0.187097D+01
      2  -0.324483D+01 -0.261490D+01 -0.296743D+01  0.352339D+01 -0.120860D+01
      3  -0.261490D+01 -0.586709D+01  0.187097D+01 -0.120860D+01  0.164823D+01
               166           167           168           169           170 
      1  -0.216015D+01  0.223417D+01 -0.828829D+00  0.226194D+01 -0.123775D+01
      2   0.223417D+01 -0.318131D+01  0.128940D+01 -0.123775D+01  0.217506D+01
      3  -0.828829D+00  0.128940D+01 -0.129006D+01  0.145268D+01 -0.179254D+01
               171 
      1   0.145268D+01
      2  -0.179254D+01
      3   0.154082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.694770D+01  0.560301D+00 -0.690913D-01  0.158466D+00 -0.347615D+01
      2  -0.425169D+01 -0.115553D-01  0.230747D+01 -0.186113D+00  0.358567D+00
      3  -0.770280D+01 -0.121807D+02  0.763848D+01 -0.570607D+01  0.572307D+01
                 6             7             8             9            10 
      1   0.426419D+01 -0.738070D+00  0.108690D+02  0.968139D+01  0.645506D-01
      2   0.281492D+01 -0.144410D+01  0.357996D+01  0.476887D+01  0.336744D+01
      3  -0.615204D+00  0.820678D+01 -0.769667D+00 -0.349405D+01  0.538300D+01
                11            12            13            14            15 
      1   0.621121D-01  0.223371D+00 -0.509011D+00  0.218120D+01 -0.333703D+01
      2  -0.121134D+00  0.329581D+01 -0.931895D+00 -0.319910D+00 -0.290406D+01
      3  -0.394198D+01 -0.540898D+00  0.226216D+01 -0.612884D+01  0.492842D+00
                16            17            18            19            20 
      1   0.189172D+00  0.312369D+01 -0.257085D+01 -0.173753D+01 -0.156849D+01
      2  -0.301853D+01 -0.347242D+01 -0.904121D+01  0.283872D+01 -0.718814D+00
      3   0.149184D+01 -0.324997D+00  0.327673D+01  0.757279D+00 -0.355806D+01
                21            22            23            24            25 
      1  -0.440144D+00 -0.108429D+00  0.356693D+01 -0.957497D+00  0.661435D+00
      2   0.225324D+01  0.207105D+00 -0.226832D+01  0.118449D+01 -0.749953D+01
      3   0.101436D+01  0.611318D+00 -0.338412D+01  0.124212D+01 -0.319633D+01
                26            27            28            29            30 
      1   0.401142D+01 -0.336220D+01  0.414618D+00  0.244437D+01  0.249005D+01
      2  -0.216047D+00  0.346810D+00 -0.621609D+01  0.573855D+00 -0.228445D+01
      3   0.122511D+01 -0.470013D+00 -0.927610D+01  0.486878D+01 -0.155496D+01
                31            32            33            34            35 
      1  -0.368031D+00 -0.638589D+01 -0.599457D+01  0.171555D+01 -0.296776D+01
      2   0.368845D+01  0.225339D+01 -0.176865D+01 -0.222473D+01 -0.445349D+00
      3   0.144348D+02  0.874852D+01 -0.214835D+01 -0.814526D+01 -0.786573D+01
                36            37            38            39            40 
      1   0.501900D+01 -0.210072D+01  0.699938D+00 -0.723699D+00 -0.746387D+00
      2   0.938940D+01  0.631305D+01  0.186853D+01  0.147116D+01 -0.899240D+00
      3  -0.167102D+01  0.233382D+01 -0.489986D+00  0.917201D+00  0.257702D+01
                41            42            43            44            45 
      1   0.198352D+01 -0.233644D+01  0.225412D+01  0.560963D+01 -0.281428D+01
      2   0.308941D+01  0.120195D+01 -0.525937D+01  0.944124D+00  0.806267D+01
      3  -0.508376D+01 -0.260382D+01  0.301493D+01 -0.199096D+01 -0.170043D+01
                46            47            48            49            50 
      1   0.484367D+00  0.687089D+00  0.446715D-01  0.146764D+01  0.206701D+01
      2  -0.100741D+02  0.144383D+01 -0.446626D+01  0.244472D+01 -0.153751D+01
      3  -0.802409D+01  0.195857D+01 -0.200929D+01  0.100710D+02  0.173079D+02
                51            52            53            54            55 
      1  -0.277185D+01  0.101808D+01  0.104153D+01 -0.210426D+01 -0.130887D+01
      2   0.698019D+01 -0.123348D+02  0.643405D+01  0.137912D+02  0.145211D+01
      3   0.515339D+00 -0.350288D+01  0.122094D+01 -0.769918D+01  0.741798D+01
                56            57            58            59            60 
      1   0.262156D+01 -0.730951D+01  0.189517D+01 -0.364417D+01 -0.103602D+01
      2   0.589891D+00  0.426731D+01  0.490760D+00  0.158244D+01  0.261482D+00
      3  -0.112402D+02  0.236603D+01  0.240325D+01  0.668018D+01 -0.204685D+01
                61            62            63            64            65 
      1  -0.702496D+01  0.848002D+01  0.697323D+01 -0.148571D+00 -0.381413D+01
      2  -0.679240D+00  0.416591D+00 -0.902135D+00  0.331273D+00  0.164214D+01
      3   0.297472D+01 -0.245345D+01  0.734457D+01  0.183087D+01 -0.740544D+01
                66            67            68            69            70 
      1  -0.186304D-01 -0.241830D+00  0.157094D+01 -0.103568D+01 -0.906869D+00
      2   0.823457D+01  0.122362D+00 -0.462450D+01 -0.112832D+01 -0.366387D+01
      3  -0.590431D+00 -0.219890D+01  0.643879D+00  0.427220D+01  0.444895D+01
                71            72            73            74            75 
      1   0.731411D+01 -0.871120D+00  0.952259D+00 -0.484043D+00  0.257815D-01
      2  -0.226415D+01 -0.161109D+02  0.701466D+00 -0.309307D+00  0.431454D+00
      3   0.777981D+01  0.242569D+01  0.168280D+00 -0.896485D+00 -0.619999D+00
                76            77            78            79            80 
      1  -0.644981D-01  0.752363D+00 -0.913411D-01 -0.282698D+00  0.387654D+01
      2  -0.777467D+00  0.144703D+00 -0.357018D+00 -0.379576D+01  0.154878D+00
      3   0.138897D+01  0.116622D+00 -0.758006D-01 -0.486676D-01  0.245690D+00
                81            82            83            84            85 
      1   0.359297D+01  0.110439D+01 -0.657001D+00 -0.970657D-02 -0.289507D+00
      2   0.245743D+00  0.159812D+01 -0.565397D+00  0.184155D+00 -0.143042D+01
      3  -0.363723D+00 -0.121604D+01 -0.662243D+00 -0.109009D+00  0.144756D+01
                86            87            88            89            90 
      1   0.109762D+01 -0.319429D+00 -0.470119D+00  0.428534D+01  0.185124D+01
      2   0.199056D+01  0.176013D+01 -0.411850D+01  0.194254D+01  0.919257D+01
      3  -0.502170D+00 -0.136034D+01  0.329465D+00 -0.216917D+01 -0.139246D+01
                91            92            93            94            95 
      1   0.294492D+01  0.192466D+01 -0.136342D+01  0.177665D+01  0.148817D+01
      2  -0.542439D+01 -0.246586D+01  0.365733D+01 -0.275464D+01 -0.146455D+01
      3   0.120249D+00 -0.449512D+01 -0.694247D+00 -0.769206D+00 -0.299165D+01
                96            97            98            99           100 
      1  -0.518212D+00 -0.900079D+00 -0.175462D+00  0.753588D+00  0.238516D+01
      2   0.165045D+01  0.187663D+01  0.869579D+00 -0.167962D+01 -0.181227D+01
      3   0.210251D+00  0.584998D+00  0.165903D+01 -0.294961D+00 -0.598339D+01
               101           102           103           104           105 
      1  -0.245484D+01  0.421251D+01 -0.236573D+01  0.222660D+01 -0.375436D+01
      2   0.310117D+00  0.604750D+00  0.782677D+00 -0.404272D+00 -0.269599D+00
      3   0.425481D+01 -0.303413D+01  0.738097D+01 -0.516040D+01  0.288703D+01
               106           107           108           109           110 
      1   0.348494D+01 -0.253480D+01  0.445633D+01 -0.923469D+00  0.890200D+00
      2  -0.176590D+01  0.302132D+00  0.281128D-01  0.710325D+00  0.727676D-01
      3  -0.646270D+01  0.389168D+01 -0.407387D+01 -0.124326D+01  0.246550D+00
               111           112           113           114           115 
      1   0.305775D+01  0.104284D+01 -0.278143D+01 -0.341393D+01  0.316937D+01
      2  -0.302220D+00  0.297506D+00  0.262081D+00 -0.182848D+00 -0.271647D+01
      3   0.638237D+00  0.172989D+01 -0.146440D+01 -0.138791D+01  0.452657D+01
               116           117           118           119           120 
      1  -0.310848D+01 -0.123494D+02 -0.263908D+00  0.438187D+00  0.297474D+00
      2   0.758498D-01  0.836659D+00  0.695316D+01 -0.194531D+01  0.791084D+01
      3  -0.134656D+01 -0.336868D+01  0.578837D+01 -0.681151D+01  0.244345D+01
               121           122           123           124           125 
      1  -0.166754D+00 -0.460177D+00 -0.704563D+00 -0.133990D+00  0.145627D+01
      2  -0.213181D+01  0.226814D+01 -0.448241D+01  0.537503D+01 -0.281715D+01
      3  -0.397835D+01  0.371731D+01 -0.218299D+01  0.272662D+01 -0.448355D+01
               126           127           128           129           130 
      1   0.975910D-01  0.455278D+00 -0.236974D+00 -0.479931D+00  0.179531D-01
      2   0.563713D+01 -0.227231D+01  0.124165D+00  0.374321D+01  0.203539D+00
      3   0.314123D+01  0.161681D+01 -0.175573D+01 -0.655158D+00 -0.756043D+00
               131           132           133           134           135 
      1   0.940269D+00 -0.248536D+00 -0.600063D+00  0.362868D+01  0.196164D+01
      2  -0.255333D+01 -0.459893D+01  0.289835D+01 -0.288954D+01 -0.194803D+02
      3   0.114116D+01  0.244796D+01 -0.567081D+00  0.506875D+01  0.383109D+01
               136           137           138           139           140 
      1  -0.366739D+00 -0.369890D+00 -0.560663D+00 -0.185361D+00 -0.167249D+01
      2   0.928005D+00 -0.703263D-01  0.138028D+01  0.181669D-01  0.318259D+00
      3  -0.363744D+01 -0.265036D+01  0.318275D+00  0.191598D+00 -0.228513D+02
               141           142           143           144           145 
      1  -0.254089D+01 -0.588046D+00  0.691035D+00  0.209650D+00  0.297941D+01
      2   0.352787D+01  0.412618D+00  0.167295D+01 -0.109212D+01  0.457301D+01
      3  -0.362601D-01  0.467451D+00 -0.500506D+00 -0.102093D+01  0.157231D+02
               146           147           148           149           150 
      1  -0.113630D+00 -0.377615D+01  0.458188D+00  0.100604D+01 -0.268300D+01
      2   0.106957D+01 -0.242167D+00  0.108895D+01  0.141145D+01 -0.354345D+00
      3   0.431801D+01 -0.454966D+01  0.645749D+01  0.415896D+01 -0.221772D+01
               151           152           153           154           155 
      1  -0.250204D+01 -0.736955D+00  0.181245D+01 -0.104830D+01 -0.397736D-01
      2  -0.336516D+01 -0.121975D+01  0.862671D+00 -0.564858D+00  0.176837D+00
      3  -0.568221D+01 -0.212783D+01  0.363791D+01  0.153320D+01  0.435779D+00
               156           157           158           159           160 
      1   0.109327D+00  0.248097D-01 -0.286296D+01 -0.519013D+01  0.330676D+00
      2   0.771382D+00 -0.303331D+00 -0.126106D+01 -0.140491D+01 -0.244627D+01
      3   0.708710D+00  0.239976D+01  0.119405D+01  0.135282D+01  0.320606D+01
               161           162           163           164           165 
      1  -0.295593D+01 -0.140818D+02  0.306086D+01 -0.589643D+00  0.429000D+01
      2  -0.255241D+01 -0.603887D+01  0.190839D+00 -0.701613D+00  0.304407D+01
      3   0.346731D+01  0.266332D+01 -0.680697D+01 -0.556257D+00 -0.264900D+01
               166           167           168           169           170 
      1  -0.113800D+01  0.144020D+01 -0.359264D+01  0.254070D+01 -0.134624D+01
      2   0.706789D-01  0.754438D+00 -0.193039D+01 -0.419405D+00 -0.173118D+01
      3   0.424185D+01 -0.649725D+00  0.598473D+00 -0.437326D+01 -0.525889D+00
               171 
      1   0.270688D+01
      2   0.183956D+01
      3  -0.771211D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978427D+01  0.830791D+01 -0.768571D+01  0.562619D+01 -0.115783D+02
      2  -0.130886D+02 -0.135894D+01  0.318567D+01  0.884713D-01  0.164567D+02
      3   0.330430D+01 -0.694897D+01  0.450004D+01 -0.571466D+01 -0.487837D+01
      4   0.673248D+01 -0.183294D+02  0.145069D+02 -0.160142D+02 -0.179454D+00
      5  -0.724335D+01  0.743057D+01 -0.444273D+01  0.503927D+01 -0.164457D+01
      6   0.178900D+02 -0.246063D+01  0.109619D+01 -0.210266D+01  0.302655D+01
                 6             7             8             9            10 
      1   0.104313D+01 -0.826089D+01  0.200645D+01  0.662002D+01 -0.117048D+02
      2   0.707333D+00  0.236670D+01  0.112689D+01 -0.993732D+01  0.854629D+01
      3  -0.175047D+01  0.589419D+01 -0.313334D+01  0.331730D+01  0.315854D+01
      4  -0.224120D+01  0.136186D+02 -0.407888D+01  0.822493D+01 -0.967817D+01
      5   0.636188D+01 -0.533227D+01  0.791190D+01  0.925470D+01  0.825633D+01
      6  -0.114693D+02  0.203440D+01 -0.158518D+02 -0.162804D+02 -0.309270D+01
                11            12            13            14            15 
      1  -0.104088D+02  0.623720D+01 -0.123456D+02  0.123159D+02  0.181006D+01
      2   0.509818D+01 -0.485036D+01  0.694584D+01 -0.121617D+02  0.116569D+01
      3   0.531062D+01 -0.138684D+01  0.539979D+01 -0.154185D+00 -0.297574D+01
      4   0.652081D+01 -0.967216D+00  0.743921D+01  0.667580D+01 -0.225141D+00
      5  -0.424152D+00  0.136974D+01 -0.665802D+00  0.566998D-02 -0.675170D+01
      6   0.820079D+00 -0.871791D+00  0.990967D+00 -0.302684D+00  0.691881D-02
                16            17            18            19            20 
      1   0.107403D+02  0.136118D+01  0.662524D+01 -0.126053D+02 -0.586388D+01
      2  -0.477451D+01  0.301993D+01  0.579297D+01  0.114069D+02  0.693492D+01
      3  -0.596579D+01 -0.438111D+01 -0.124182D+02  0.119846D+01 -0.107105D+01
      4  -0.154387D+01 -0.173285D+00 -0.648228D+01 -0.186446D+01  0.139528D+01
      5   0.734928D+01 -0.628685D+01 -0.177878D+02 -0.323632D+01 -0.653356D+00
      6  -0.883060D+00  0.493101D+01 -0.161504D+01 -0.166116D+00 -0.180442D+01
                21            22            23            24            25 
      1  -0.124869D+01  0.414727D+01  0.578961D+01  0.110146D+01 -0.358081D+01
      2  -0.442229D+00 -0.451333D+01 -0.154504D+02  0.212251D+01 -0.888273D+00
      3   0.169092D+01  0.366052D+00  0.966075D+01 -0.322397D+01  0.446908D+01
      4   0.187692D+00 -0.119358D+02 -0.433372D+01 -0.814427D-01  0.314039D+01
      5   0.184320D+01  0.769935D+00 -0.249470D+00  0.181001D+01  0.623984D+00
      6   0.502027D+00  0.476528D+00  0.984168D+00 -0.200291D+01  0.147703D+01
                26            27            28            29            30 
      1   0.465891D+01  0.493222D+01  0.369330D+00  0.567840D+01 -0.103916D+01
      2  -0.330973D+01  0.915154D+01  0.561913D+01 -0.297842D+01 -0.401233D+01
      3  -0.134918D+01 -0.140838D+02 -0.598846D+01 -0.269999D+01  0.505149D+01
      4  -0.168601D+01  0.936979D+00  0.525744D+01 -0.238190D+01 -0.645189D+01
      5   0.172447D+01  0.236522D+01  0.511426D+01 -0.511298D+01 -0.171503D+02
      6   0.314196D+01  0.487608D+01 -0.302061D+01  0.455064D+00 -0.342285D+01
                31            32            33            34            35 
      1   0.956129D+01  0.218922D+01 -0.266831D+01  0.123220D+02  0.953211D+00
      2  -0.461098D+01  0.316783D+00  0.513287D+01 -0.706393D+01 -0.640792D+01
      3  -0.495030D+01 -0.250601D+01 -0.246456D+01 -0.525810D+01  0.545471D+01
      4   0.461586D+01 -0.365511D+01 -0.117380D+01 -0.938545D+01  0.461647D+01
      5  -0.120385D+02 -0.201328D+00 -0.546443D+01 -0.233231D+02 -0.172591D+01
      6  -0.175059D+01 -0.726824D+01  0.804117D+00 -0.360034D+01 -0.708712D+01
                36            37            38            39            40 
      1  -0.557454D+01 -0.181113D+02 -0.974939D+01  0.729011D+01 -0.127886D+02
      2   0.108675D+02  0.278827D+01  0.326947D+01 -0.531332D+01  0.450582D+01
      3  -0.529298D+01  0.153231D+02  0.647993D+01 -0.197679D+01  0.828275D+01
      4   0.873153D+00 -0.143930D+02 -0.406618D+01  0.346424D+01  0.857649D+00
      5   0.161331D+02  0.778904D+01  0.110439D+01  0.101715D+02  0.496771D+01
      6  -0.261853D+01  0.218813D+01  0.249631D+01  0.180420D+01  0.306675D+01
                41            42            43            44            45 
      1  -0.124969D+02 -0.254476D+01  0.134575D+02  0.578725D+00 -0.295289D+01
      2   0.129648D+02  0.124172D+01 -0.971888D+01  0.935959D+00 -0.947805D+01
      3  -0.467870D+00  0.130304D+01 -0.373863D+01 -0.151468D+01  0.124309D+02
      4   0.768187D+01  0.791989D+01  0.111076D+02  0.100131D+02  0.526578D+01
      5   0.735715D+01  0.576436D+01  0.185951D+02  0.835984D+01  0.222300D+02
      6   0.753367D+01  0.846383D+01  0.449322D+01  0.110582D+02  0.870395D+01
                46            47            48            49            50 
      1  -0.456849D+00  0.191507D+02 -0.193876D+02  0.215373D+02 -0.729500D+01
      2  -0.475556D+00 -0.117954D+02  0.953481D+01 -0.148006D+02 -0.717470D+00
      3   0.932405D+00 -0.735537D+01  0.985282D+01 -0.673673D+01  0.801247D+01
      4   0.192824D+02 -0.499984D+01  0.201540D+01 -0.972594D+01 -0.253276D+02
      5  -0.213925D+02  0.264462D+01 -0.102463D+02  0.363495D+01 -0.400228D+01
      6   0.321056D-01  0.116413D+00  0.834405D+00 -0.632563D+00 -0.397808D+00
                51            52            53            54            55 
      1   0.531117D+01 -0.251985D+02  0.398097D+01 -0.857274D+01  0.160911D+02
      2  -0.689796D+00  0.107069D+02 -0.378925D+00  0.124221D+02 -0.132721D+02
      3  -0.462138D+01  0.144915D+02 -0.360205D+01 -0.384936D+01 -0.281899D+01
      4  -0.223488D+01  0.304796D+01 -0.116529D+01  0.124839D+02  0.754059D+01
      5   0.143079D+02 -0.171235D+02  0.131482D+02  0.256182D+02 -0.113339D+01
      6   0.100285D+01  0.157970D+01 -0.111534D+01 -0.141028D+01  0.582301D+01
                56            57            58            59            60 
      1  -0.698871D+01  0.676260D+00 -0.683455D+01 -0.140741D+02 -0.492968D+00
      2   0.110579D+02 -0.129340D+01  0.128478D+02  0.276036D+02  0.201999D+01
      3  -0.406916D+01  0.617136D+00 -0.601328D+01 -0.135295D+02 -0.152703D+01
      4  -0.487675D+01  0.442419D+01  0.476688D+01  0.152174D+02 -0.295908D+01
      5   0.199013D+01  0.155129D+01  0.166685D+01 -0.193526D+01  0.191293D+01
      6  -0.433895D+01  0.125552D+02 -0.481454D+01  0.348434D+01 -0.521016D+00
                61            62            63            64            65 
      1   0.291830D+01  0.137790D+01  0.368729D+01  0.259834D+02 -0.136688D+01
      2  -0.259958D+01  0.218483D+01 -0.585776D+01 -0.190741D+02 -0.101425D+01
      3  -0.318719D+00 -0.356273D+01  0.217047D+01 -0.690935D+01  0.238113D+01
      4   0.482947D+01 -0.296501D+01  0.109929D+02 -0.686801D+01  0.108132D+02
      5   0.347399D+01  0.393051D+01 -0.166507D+01 -0.204382D+02  0.519781D+01
      6   0.134130D+02 -0.390326D+01 -0.123245D+02  0.143264D+01 -0.334684D+01
                66            67            68            69            70 
      1  -0.911257D+01 -0.678260D+01 -0.156567D+01  0.985098D+00 -0.150979D+02
      2   0.116155D+02  0.480183D+01  0.392236D+01 -0.112374D+01  0.153104D+02
      3  -0.250292D+01  0.198077D+01 -0.235669D+01  0.138640D+00 -0.212445D+00
      4   0.582323D+01  0.104813D+02 -0.559361D+01 -0.851072D+01  0.416876D+01
      5   0.231520D+02  0.489799D+01 -0.975109D+01 -0.229729D+01  0.271880D+02
      6  -0.228326D+00 -0.320217D+01  0.267121D+01  0.828954D+01 -0.116879D+01
                71            72            73            74            75 
      1  -0.351371D+01 -0.282444D+01  0.110578D+01  0.149421D+00  0.105072D+01
      2   0.492283D+01 -0.210563D+02 -0.395107D+01 -0.107331D-02  0.989602D+00
      3  -0.140912D+01  0.238808D+02  0.284529D+01 -0.148348D+00 -0.204032D+01
      4  -0.999273D+01 -0.719664D+01  0.340441D+00  0.146925D+01 -0.641625D+00
      5  -0.409392D+01 -0.398868D+02 -0.126411D+01  0.129741D+00  0.534029D+01
      6   0.927242D+01  0.610330D+00 -0.903959D+00 -0.760149D+00  0.431758D+00
                76            77            78            79            80 
      1   0.370281D+00 -0.361094D+01 -0.821264D+00  0.623068D-01  0.808257D+00
      2   0.415893D-01  0.100015D+01 -0.195316D+01  0.136475D+01 -0.283060D+01
      3  -0.411870D+00  0.261078D+01  0.277442D+01 -0.142705D+01  0.202234D+01
      4   0.170828D+01 -0.259169D+00 -0.348631D+00 -0.736806D+00 -0.909426D-01
      5   0.168149D+00 -0.718003D+00 -0.804186D+00  0.430940D+01  0.450197D-01
      6  -0.253166D+00  0.394724D+00  0.505324D+01  0.416126D-01  0.401069D+01
                81            82            83            84            85 
      1  -0.150203D+02  0.192114D+01  0.218449D+01  0.226704D+01  0.292863D+01
      2  -0.141218D+02 -0.403542D+01 -0.932394D+00 -0.470896D+00 -0.180500D+01
      3   0.291421D+02  0.211428D+01 -0.125209D+01 -0.179614D+01 -0.112364D+01
      4   0.530129D+00  0.208182D+01  0.703033D+00  0.479675D+00  0.109409D+01
      5  -0.184442D+01  0.106592D+01  0.656530D+00  0.505956D+01  0.452025D+00
      6  -0.535570D+01  0.722997D+00 -0.312913D+00 -0.461617D+00  0.194221D+00
                86            87            88            89            90 
      1  -0.510196D+01 -0.247554D+01  0.393794D+01 -0.147120D+01 -0.152886D+02
      2   0.170694D+01 -0.143439D+01 -0.235778D+01 -0.301334D+01 -0.140539D+02
      3   0.339503D+01  0.390993D+01 -0.158015D+01  0.448455D+01  0.293425D+02
      4   0.643426D+00  0.279899D+01  0.653496D+00  0.365886D+01  0.334766D+01
      5   0.311223D+01  0.346151D+01  0.368736D+01  0.295571D+01  0.171961D+02
      6   0.298570D+01  0.689307D+01  0.155406D+00  0.456230D+01  0.281455D+01
                91            92            93            94            95 
      1   0.423472D+02  0.154780D+02  0.106252D+01  0.950660D+01  0.646625D+01
      2  -0.179719D+02 -0.465615D+01 -0.158692D+01 -0.148109D+01  0.944820D+00
      3  -0.243753D+02 -0.108218D+02  0.524408D+00 -0.802551D+01 -0.741107D+01
      4   0.246481D+02  0.159309D+02  0.177297D+01  0.145556D+02  0.120695D+02
      5   0.801454D+01  0.365965D+01  0.663217D+01  0.235206D+01  0.238464D+01
      6   0.159759D+01  0.179471D+01  0.179575D+01  0.142954D+01  0.128925D+01
                96            97            98            99           100 
      1   0.587035D+00 -0.113700D+02 -0.472291D+01  0.241057D+01 -0.226485D+01
      2  -0.827860D+00  0.355385D+01  0.502860D+00 -0.108377D+01  0.673699D+01
      3   0.240825D+00  0.781614D+01  0.422005D+01 -0.132680D+01 -0.447213D+01
      4   0.711399D+00 -0.764882D+01 -0.510724D+01  0.276667D+01 -0.992161D+01
      5   0.285575D+01  0.425183D+01  0.191553D+01 -0.353177D+00  0.353070D+01
      6   0.198883D+01  0.231452D+01  0.182539D+01 -0.481397D+00 -0.700294D+01
               101           102           103           104           105 
      1   0.782012D+01 -0.305010D+01  0.486097D+01 -0.118904D+02  0.422535D+01
      2  -0.139379D+02  0.448321D+01 -0.944204D+01  0.203962D+02 -0.663141D+01
      3   0.611775D+01 -0.143311D+01  0.458107D+01 -0.850579D+01  0.240606D+01
      4   0.138101D+02 -0.637403D+01  0.122370D+02 -0.116739D+02  0.538715D+01
      5  -0.354673D+01  0.410871D+01 -0.202414D+01  0.313620D+01 -0.179944D+01
      6   0.916929D+01 -0.847965D+01  0.680343D+01 -0.100807D+02  0.874263D+01
               106           107           108           109           110 
      1  -0.388460D+01  0.785288D+01 -0.645831D+01 -0.153748D+01  0.269319D+01
      2   0.467117D+01 -0.100908D+02  0.488895D+01  0.195295D+01 -0.405197D+01
      3  -0.786565D+00  0.223792D+01  0.156936D+01 -0.415470D+00  0.135878D+01
      4  -0.886903D+01  0.787726D+01 -0.692669D+01 -0.118808D+01  0.439199D+01
      5   0.411494D+01 -0.327143D+01  0.373720D+01 -0.103806D+01  0.334694D+00
      6  -0.836500D+01  0.121755D+02 -0.112116D+02  0.965269D+00 -0.346180D+01
               111           112           113           114           115 
      1   0.160964D+01  0.867488D+00 -0.490107D+01 -0.270971D+01  0.912985D+00
      2  -0.213188D+01 -0.165732D+01  0.706643D+01  0.383741D+01 -0.128930D+01
      3   0.522239D+00  0.789831D+00 -0.216536D+01 -0.112770D+01  0.376314D+00
      4   0.974490D+00  0.417000D+01 -0.218897D+01 -0.244141D+01  0.507644D+01
      5   0.192004D+01  0.212099D+00 -0.110597D+01 -0.928125D+00  0.167028D+01
      6  -0.470103D+01 -0.282342D+01  0.456307D+01  0.781369D+01 -0.496126D+01
               116           117           118           119           120 
      1  -0.915535D+01 -0.902149D+01  0.523423D+02 -0.105185D+02  0.155437D+02
      2   0.108310D+02  0.380703D+01 -0.280311D+02  0.509483D+01 -0.892631D+01
      3  -0.167561D+01  0.521446D+01 -0.243112D+02  0.542364D+01 -0.661738D+01
      4  -0.325668D+01 -0.378980D+01 -0.110590D+02  0.110230D+02 -0.344140D+01
      5  -0.115002D+01 -0.181543D+01  0.182187D+02 -0.393660D+01  0.149869D+02
      6   0.111767D+02  0.223347D+02 -0.221762D+00  0.516922D+00 -0.147434D+00
               121           122           123           124           125 
      1  -0.201832D+02  0.784251D+01 -0.432967D+01  0.256789D+02 -0.365253D+01
      2   0.105246D+02 -0.195344D+01  0.205761D+01 -0.151973D+02  0.186520D+01
      3   0.965855D+01 -0.588907D+01  0.227207D+01 -0.104816D+02  0.178733D+01
      4   0.127857D+02 -0.707262D+01  0.495883D+01 -0.501566D+01  0.727186D+01
      5  -0.619699D+01  0.513759D+01 -0.799285D+01  0.184948D+02 -0.576692D+01
      6   0.123660D+01 -0.153227D+01  0.193721D+01 -0.871418D+00  0.226789D+01
               126           127           128           129           130 
      1   0.108876D+02  0.706608D+01 -0.303021D+01 -0.472957D+01 -0.694681D+01
      2  -0.988227D+01 -0.606297D+01  0.208196D+01  0.400474D+01  0.456924D+01
      3  -0.100534D+01 -0.100311D+01  0.948251D+00  0.724836D+00  0.237757D+01
      4  -0.516299D+01 -0.279889D+01  0.277882D+01  0.943374D+00  0.469447D+01
      5   0.130267D+02 -0.574021D+01  0.124528D+01  0.104183D+02  0.354802D+01
      6  -0.107711D+01  0.819464D+00 -0.984591D-01  0.137979D+00 -0.171564D+01
               131           132           133           134           135 
      1   0.243779D+00 -0.375139D+00 -0.117178D+02 -0.953267D+00  0.925099D+00
      2  -0.223690D+00 -0.205888D+01  0.106959D+02 -0.915926D+00 -0.168545D+02
      3  -0.200895D-01  0.243402D+01  0.102196D+01  0.186919D+01  0.159294D+02
      4  -0.197375D+01 -0.572061D+01  0.133000D+01 -0.847462D+01 -0.606619D+01
      5  -0.520846D+01 -0.892748D+01  0.187593D+02 -0.578812D+01 -0.389878D+02
      6   0.252200D+01  0.441646D+01 -0.108311D+01  0.493123D+01  0.201402D+01
               136           137           138           139           140 
      1   0.353833D+01  0.466658D+01  0.195132D+01  0.141383D+02  0.152670D+01
      2   0.108079D+01  0.536287D-01 -0.109464D+01 -0.464146D+01  0.123403D+02
      3  -0.461912D+01 -0.472021D+01 -0.856678D+00 -0.949683D+01 -0.138670D+02
      4   0.625250D+01  0.113536D+02 -0.286871D+00  0.166094D+02  0.393094D+02
      5   0.172125D+01 -0.574596D+00  0.272957D+01 -0.108447D+01  0.120392D+01
      6  -0.255082D+00 -0.628668D+00  0.900540D+00  0.112140D+00 -0.978062D+00
               141           142           143           144           145 
      1  -0.690152D+00  0.331868D+01 -0.574116D+00  0.915876D+00 -0.723535D+01
      2   0.713458D+00 -0.152226D+01  0.474275D+00 -0.110318D+01  0.743006D+01
      3  -0.233064D-01 -0.179641D+01  0.998412D-01  0.187307D+00 -0.194704D+00
      4   0.133878D+00  0.902617D-01  0.762653D+00  0.306872D+01  0.148843D+02
      5   0.630916D+01  0.502774D+01  0.361729D+01 -0.208793D+01 -0.280054D+01
      6   0.416904D+01  0.110939D+01  0.482855D+01  0.611130D+00 -0.846242D+01
               146           147           148           149           150 
      1  -0.119996D+02  0.575666D+01 -0.696382D+01 -0.838456D+01  0.383464D+01
      2   0.144949D+02 -0.329017D+01  0.849767D+01  0.117302D+02 -0.415393D+01
      3  -0.249539D+01 -0.246649D+01 -0.153385D+01 -0.334561D+01  0.319287D+00
      4   0.741160D+01 -0.586176D+01  0.837920D+01  0.479668D+01 -0.199069D+01
      5  -0.197777D+01  0.230093D+01 -0.116412D+01 -0.866391D+00 -0.117700D+00
      6  -0.645022D+01  0.789282D+01 -0.429029D+01 -0.569755D+01  0.655351D+01
               151           152           153           154           155 
      1   0.551583D+01  0.614744D+01 -0.707102D+01 -0.971312D+00 -0.192706D+01
      2  -0.265496D+01 -0.652317D+01  0.331232D+01  0.144133D+01  0.636869D+00
      3  -0.286087D+01  0.375727D+00  0.375870D+01 -0.470015D+00  0.129019D+01
      4  -0.684785D+01 -0.124794D+01  0.229804D+01 -0.164271D+01  0.533883D+01
      5   0.321198D+01 -0.547649D+00 -0.203861D+01 -0.124677D+01  0.560132D+00
      6   0.555098D+01  0.841161D+01 -0.587850D+01  0.162486D+01  0.884025D-01
               156           157           158           159           160 
      1  -0.134899D+01 -0.100690D+01 -0.622772D+01 -0.495398D+01 -0.249168D+01
      2   0.831795D+00 -0.966958D-01  0.878431D+01  0.673299D+01  0.115045D+01
      3   0.517200D+00  0.110360D+01 -0.255659D+01 -0.177902D+01  0.134122D+01
      4   0.184644D+01  0.447958D+01 -0.353384D+01 -0.239207D+01  0.486162D+01
      5   0.370109D+01 -0.109349D+00 -0.259985D+01 -0.302481D+01  0.443473D+01
      6  -0.421698D+00 -0.406321D-01  0.782781D+01  0.115885D+02 -0.117597D+01
               161           162           163           164           165 
      1  -0.999314D+01 -0.107256D+02  0.121736D+02 -0.103325D+01  0.240433D+01
      2   0.127350D+02  0.383666D+01  0.424450D-01 -0.961754D+01 -0.356401D+00
      3  -0.274185D+01  0.688892D+01 -0.122161D+02  0.106508D+02 -0.204793D+01
      4  -0.656834D+01 -0.573535D+01 -0.251742D+02  0.228354D+02 -0.104887D+02
      5  -0.564991D+01 -0.122901D+02  0.105079D+02 -0.680231D+01  0.907682D+01
      6   0.153929D+02  0.266298D+02 -0.997046D+01  0.820585D+01 -0.921643D+01
               166           167           168           169           170 
      1  -0.131359D+01 -0.332847D+01  0.188018D+01  0.361388D+01  0.302693D+01
      2  -0.653179D+01  0.134354D+02 -0.429169D+01 -0.876899D+00 -0.641167D+01
      3   0.784538D+01 -0.101069D+02  0.241151D+01 -0.273698D+01  0.338474D+01
      4   0.171781D+02 -0.181703D+02  0.709483D+01 -0.118771D+02  0.106068D+02
      5  -0.442565D+01  0.594528D+01 -0.467554D+01  0.896252D+01 -0.689579D+01
      6   0.600079D+01 -0.910010D+01  0.879269D+01 -0.762833D+01  0.110928D+02
               171 
      1  -0.184261D+01
      2   0.100124D+01
      3   0.841370D+00
      4  -0.942889D+01
      5   0.788123D+01
      6  -0.841644D+01
 Leave Link  716 at Mon Sep 27 14:51:38 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.883764D+02  0.243195D+01 -0.131470D+01
      2   0.243195D+01  0.811216D+02  0.192505D+01
      3  -0.131470D+01  0.192505D+01  0.725229D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.115711D+01 -0.211715D+00  0.167407D+01
      2   0.266018D+01 -0.522543D+01  0.232484D+02
      3   0.648968D+01 -0.358269D+02  0.565545D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.778289D+02 -0.180412D+02  0.689497D+01
      2  -0.341247D+02  0.125191D+02 -0.346262D+01
      3  -0.437042D+02  0.552202D+01 -0.343235D+01
      4  -0.239251D+02  0.612205D+02 -0.173078D+02
      5   0.664719D+01 -0.179853D+02  0.326361D+02
      6  -0.547758D+01 -0.209004D+01 -0.101875D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.810456D+00  0.423566D+01 -0.365690D+01  0.372791D+01 -0.111139D+01
      2   0.423566D+01 -0.132602D+01  0.495803D+00 -0.111139D+01 -0.288162D+01
      3  -0.365690D+01  0.495803D+00 -0.263416D+00  0.397444D+00 -0.245976D+00
                 6             7             8             9            10 
      1   0.397444D+00 -0.393920D+01  0.449544D+00 -0.418807D+00  0.556935D+00
      2  -0.245976D+00  0.449544D+00 -0.678498D+00  0.339978D+01 -0.394895D+01
      3   0.274968D+01 -0.418807D+00  0.339978D+01  0.433242D+01  0.207967D+01
                11            12            13            14            15 
      1  -0.394895D+01  0.207967D+01 -0.576045D+01  0.153200D+01 -0.942678D-02
      2   0.188770D+01 -0.914019D-01  0.153200D+01  0.381014D+01 -0.226488D+00
      3  -0.914019D-01  0.736539D+00 -0.942678D-02 -0.226488D+00 -0.224380D+01
                16            17            18            19            20 
      1   0.431343D+01 -0.589024D-01  0.112298D+01 -0.142662D+01  0.508589D+01
      2  -0.589024D-01  0.448651D+00 -0.264053D+01  0.508589D+01 -0.630514D-01
      3   0.112298D+01 -0.264053D+01 -0.741936D+01 -0.682081D+00  0.104169D+00
                21            22            23            24            25 
      1  -0.682081D+00  0.339456D+01 -0.100261D+01  0.250737D+00 -0.390458D+01
      2   0.104169D+00 -0.100261D+01 -0.248803D+01  0.225951D-01 -0.299153D+00
      3  -0.612601D+00  0.250737D+00  0.225951D-01  0.127721D+01 -0.720991D+00
                26            27            28            29            30 
      1  -0.299153D+00 -0.720991D+00 -0.380790D+00 -0.206325D+01 -0.336883D+00
      2  -0.169225D+01  0.154699D+01 -0.206325D+01  0.110296D+01  0.974163D+00
      3   0.154699D+01  0.608169D+01 -0.336883D+00  0.974163D+00  0.191525D+01
                31            32            33            34            35 
      1  -0.191682D+01 -0.148279D+00  0.125826D+01 -0.311087D+01  0.423274D+00
      2  -0.148279D+00 -0.928360D+00  0.404082D+00  0.423274D+00 -0.670051D-01
      3   0.125826D+01  0.404082D+00 -0.188886D+00  0.266530D+01 -0.183102D+00
                36            37            38            39            40 
      1   0.266530D+01  0.528935D+01  0.210050D+01 -0.178352D+01  0.181679D+01
      2  -0.183102D+00  0.210050D+01  0.141444D+01 -0.253253D+00  0.891637D+00
      3  -0.395502D+01 -0.178352D+01 -0.253253D+00 -0.162990D+00 -0.688670D+00
                41            42            43            44            45 
      1   0.891637D+00 -0.688670D+00 -0.360587D+01 -0.142647D+01 -0.211103D+01
      2  -0.170273D+01 -0.177689D+01 -0.142647D+01 -0.265617D+01 -0.155323D+01
      3  -0.177689D+01 -0.580252D+00 -0.211103D+01 -0.155323D+01 -0.416328D+01
                46            47            48            49            50 
      1  -0.999082D-01  0.315925D+01 -0.301546D+01  0.380816D+01 -0.170055D+01
      2   0.315925D+01 -0.962768D+00  0.360033D+00 -0.170055D+01 -0.532343D+01
      3  -0.301546D+01  0.360033D+00 -0.179646D+01  0.523503D+00 -0.387765D+00
                51            52            53            54            55 
      1   0.523503D+00 -0.469071D+01  0.286193D+00 -0.268407D+01  0.261080D+01
      2  -0.387765D+00  0.286193D+00 -0.508913D+00  0.232229D+01 -0.223683D+01
      3   0.250805D+01 -0.268407D+01  0.232229D+01  0.510302D+01  0.111390D+01
                56            57            58            59            60 
      1  -0.223683D+01  0.111390D+01 -0.926328D+00  0.238395D+01 -0.809067D+00
      2   0.299943D+01 -0.502380D+00  0.238395D+01  0.348357D+01  0.450838D+00
      3  -0.502380D+00  0.238985D+01 -0.809067D+00  0.450838D+00 -0.130572D+01
                61            62            63            64            65 
      1   0.169905D+01 -0.113176D+01  0.249586D+01 -0.493235D+01  0.684992D+00
      2  -0.113176D+01  0.473528D+00 -0.142340D+01  0.684992D+00 -0.172926D+01
      3   0.249586D+01 -0.142340D+01 -0.293227D+01  0.329133D+01 -0.804231D+00
                66            67            68            69            70 
      1   0.329133D+01  0.166972D+01 -0.127082D+01 -0.698864D+00  0.595921D+01
      2  -0.804231D+00 -0.127082D+01  0.210765D+01  0.198699D+01  0.200310D+00
      3  -0.274730D+01 -0.698864D+00  0.198699D+01  0.713471D+00 -0.345610D+01
                71            72            73            74            75 
      1   0.200310D+00 -0.345610D+01  0.653619D+00 -0.653318D+00 -0.984601D+00
      2   0.324424D+01  0.878310D+00 -0.653318D+00  0.347852D+00  0.275867D-02
      3   0.878310D+00  0.880276D+01 -0.984601D+00  0.275867D-02  0.909617D+00
                76            77            78            79            80 
      1  -0.922712D+00  0.208822D+00 -0.331278D-01 -0.141433D+01  0.120264D+00
      2   0.208822D+00  0.818160D-01 -0.999122D+00  0.120264D+00 -0.146128D+01
      3  -0.331278D-01 -0.999122D+00 -0.733191D+00  0.320871D+00 -0.250501D+00
                81            82            83            84            85 
      1   0.320871D+00 -0.389417D+00  0.913446D+00  0.697231D+00  0.117392D+01
      2  -0.250501D+00  0.913446D+00 -0.424081D+00  0.155158D-01 -0.251586D+00
      3  -0.713947D+01  0.697231D+00  0.155158D-01 -0.220923D+00  0.485097D-01
                86            87            88            89            90 
      1  -0.251586D+00  0.485097D-01  0.144306D+01 -0.328791D-01  0.897313D-02
      2   0.327058D+00  0.127614D+01 -0.328791D-01  0.198564D+01  0.120042D+01
      3   0.127614D+01  0.147161D+01  0.897313D-02  0.120042D+01  0.753812D+01
                91            92            93            94            95 
      1  -0.829427D+01 -0.365383D+01 -0.595341D+00 -0.284683D+01 -0.206962D+01
      2  -0.365383D+01 -0.281465D+01 -0.371867D+00 -0.206962D+01 -0.210029D+01
      3  -0.595341D+00 -0.371867D+00 -0.137298D+01 -0.112325D+00 -0.331990D+00
                96            97            98            99           100 
      1  -0.112325D+00  0.233099D+01  0.113046D+01 -0.692273D+00 -0.197393D+01
      2  -0.331990D+00  0.113046D+01  0.724796D+00 -0.344160D+00  0.235956D+01
      3  -0.652402D+00 -0.692273D+00 -0.344160D+00 -0.130816D-01 -0.120571D+01
               101           102           103           104           105 
      1   0.235956D+01 -0.120571D+01  0.217489D+01 -0.219871D+01  0.104566D+01
      2  -0.322039D+01  0.137677D+01 -0.219871D+01  0.447843D+01 -0.148013D+01
      3   0.137677D+01 -0.140167D+01  0.104566D+01 -0.148013D+01  0.137937D+01
               106           107           108           109           110 
      1  -0.222566D+01  0.163801D+01 -0.152180D+01 -0.309026D+00  0.660318D+00
      2   0.163801D+01 -0.311984D+01  0.195926D+01  0.660318D+00 -0.877559D+00
      3  -0.152180D+01  0.195926D+01 -0.213975D+01  0.276130D+00 -0.544553D+00
               111           112           113           114           115 
      1   0.276130D+00  0.699288D+00 -0.375640D+00 -0.507063D+00  0.156161D+01
      2  -0.544553D+00 -0.375640D+00  0.150786D+01  0.855511D+00 -0.429909D+00
      3  -0.844165D+00 -0.507063D+00  0.855511D+00  0.121413D+01 -0.949997D+00
               116           117           118           119           120 
      1  -0.429909D+00 -0.949997D+00  0.703242D+01 -0.163801D+01  0.227240D+01
      2   0.298218D+01  0.198968D+01 -0.163801D+01  0.137218D+01 -0.521217D+00
      3   0.198968D+01  0.474630D+01  0.227240D+01 -0.521217D+00  0.186551D+01
               121           122           123           124           125 
      1  -0.328612D+01  0.167093D+01 -0.712285D+00  0.437784D+01 -0.677483D+00
      2   0.167093D+01 -0.850200D+00  0.727388D+00 -0.677483D+00  0.112191D+01
      3  -0.712285D+00  0.727388D+00 -0.112235D+01  0.225942D+01 -0.856467D+00
               126           127           128           129           130 
      1   0.225942D+01  0.108923D+01 -0.461292D+00 -0.833373D+00 -0.131108D+01
      2  -0.856467D+00 -0.461292D+00  0.258142D+00  0.100301D+00  0.605498D+00
      3   0.162330D+01 -0.833373D+00  0.100301D+00  0.897427D+00  0.456637D+00
               131           132           133           134           135 
      1   0.605498D+00  0.456637D+00 -0.248377D+01  0.168027D+00  0.242628D+01
      2  -0.332256D+00 -0.100279D+01  0.168027D+00 -0.154022D+01 -0.937007D+00
      3  -0.100279D+01 -0.161131D+01  0.242628D+01 -0.937007D+00 -0.692027D+01
               136           137           138           139           140 
      1   0.522681D+00  0.121384D+01  0.298702D+00  0.287437D+01  0.196501D+01
      2   0.121384D+01  0.120386D+01 -0.508838D-01  0.196501D+01  0.749757D+01
      3   0.298702D+00 -0.508838D-01  0.353628D+00 -0.147926D+00 -0.396657D-01
               141           142           143           144           145 
      1  -0.147926D+00  0.580224D+00  0.186405D-01  0.691645D+00 -0.507038D+01
      2  -0.396657D-01  0.186405D-01  0.207278D+00  0.650780D+00 -0.194812D+01
      3   0.988343D+00  0.691645D+00  0.650780D+00 -0.382233D+00  0.164814D+01
               146           147           148           149           150 
      1  -0.194812D+01  0.164814D+01 -0.156747D+01 -0.151998D+01  0.583874D+00
      2  -0.291062D+01  0.898315D+00 -0.151998D+01 -0.188541D+01  0.841592D+00
      3   0.898315D+00 -0.144723D+01  0.583874D+00  0.841592D+00 -0.100044D+01
               151           152           153           154           155 
      1   0.200815D+01  0.723825D+00 -0.110938D+01 -0.720623D-01 -0.842420D+00
      2   0.723825D+00  0.160572D+01 -0.135169D+01 -0.842420D+00  0.218461D+00
      3  -0.110938D+01 -0.135169D+01  0.116339D+01 -0.454622D+00  0.205511D-01
               156           157           158           159           160 
      1  -0.454622D+00 -0.641629D+00  0.157163D+00 -0.170467D-01 -0.116053D+01
      2   0.205511D-01  0.157163D+00 -0.162044D+01 -0.136373D+01  0.135765D+00
      3   0.153674D+00 -0.170467D-01 -0.136373D+01 -0.157345D+01  0.220426D+00
               161           162           163           164           165 
      1   0.135765D+00  0.220426D+00  0.438326D+01 -0.296743D+01  0.187097D+01
      2  -0.324483D+01 -0.261490D+01 -0.296743D+01  0.352339D+01 -0.120860D+01
      3  -0.261490D+01 -0.586709D+01  0.187097D+01 -0.120860D+01  0.164823D+01
               166           167           168           169           170 
      1  -0.216015D+01  0.223417D+01 -0.828829D+00  0.226194D+01 -0.123775D+01
      2   0.223417D+01 -0.318131D+01  0.128940D+01 -0.123775D+01  0.217506D+01
      3  -0.828829D+00  0.128940D+01 -0.129006D+01  0.145268D+01 -0.179254D+01
               171 
      1   0.145268D+01
      2  -0.179254D+01
      3   0.154082D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.694770D+01  0.560301D+00 -0.690913D-01  0.158466D+00 -0.347615D+01
      2  -0.425169D+01 -0.115553D-01  0.230747D+01 -0.186113D+00  0.358567D+00
      3  -0.770280D+01 -0.121807D+02  0.763848D+01 -0.570607D+01  0.572307D+01
                 6             7             8             9            10 
      1   0.426419D+01 -0.738070D+00  0.108690D+02  0.968139D+01  0.645506D-01
      2   0.281492D+01 -0.144410D+01  0.357996D+01  0.476887D+01  0.336744D+01
      3  -0.615204D+00  0.820678D+01 -0.769667D+00 -0.349405D+01  0.538300D+01
                11            12            13            14            15 
      1   0.621121D-01  0.223371D+00 -0.509011D+00  0.218120D+01 -0.333703D+01
      2  -0.121134D+00  0.329581D+01 -0.931895D+00 -0.319910D+00 -0.290406D+01
      3  -0.394198D+01 -0.540898D+00  0.226216D+01 -0.612884D+01  0.492842D+00
                16            17            18            19            20 
      1   0.189172D+00  0.312369D+01 -0.257085D+01 -0.173753D+01 -0.156849D+01
      2  -0.301853D+01 -0.347242D+01 -0.904121D+01  0.283872D+01 -0.718814D+00
      3   0.149184D+01 -0.324997D+00  0.327673D+01  0.757279D+00 -0.355806D+01
                21            22            23            24            25 
      1  -0.440144D+00 -0.108429D+00  0.356693D+01 -0.957497D+00  0.661435D+00
      2   0.225324D+01  0.207105D+00 -0.226832D+01  0.118449D+01 -0.749953D+01
      3   0.101436D+01  0.611318D+00 -0.338412D+01  0.124212D+01 -0.319633D+01
                26            27            28            29            30 
      1   0.401142D+01 -0.336220D+01  0.414618D+00  0.244437D+01  0.249005D+01
      2  -0.216047D+00  0.346810D+00 -0.621609D+01  0.573855D+00 -0.228445D+01
      3   0.122511D+01 -0.470013D+00 -0.927610D+01  0.486878D+01 -0.155496D+01
                31            32            33            34            35 
      1  -0.368031D+00 -0.638589D+01 -0.599457D+01  0.171555D+01 -0.296776D+01
      2   0.368845D+01  0.225339D+01 -0.176865D+01 -0.222473D+01 -0.445349D+00
      3   0.144348D+02  0.874852D+01 -0.214835D+01 -0.814526D+01 -0.786573D+01
                36            37            38            39            40 
      1   0.501900D+01 -0.210072D+01  0.699938D+00 -0.723699D+00 -0.746387D+00
      2   0.938940D+01  0.631305D+01  0.186853D+01  0.147116D+01 -0.899240D+00
      3  -0.167102D+01  0.233382D+01 -0.489986D+00  0.917201D+00  0.257702D+01
                41            42            43            44            45 
      1   0.198352D+01 -0.233644D+01  0.225412D+01  0.560963D+01 -0.281428D+01
      2   0.308941D+01  0.120195D+01 -0.525937D+01  0.944124D+00  0.806267D+01
      3  -0.508376D+01 -0.260382D+01  0.301493D+01 -0.199096D+01 -0.170043D+01
                46            47            48            49            50 
      1   0.484367D+00  0.687089D+00  0.446715D-01  0.146764D+01  0.206701D+01
      2  -0.100741D+02  0.144383D+01 -0.446626D+01  0.244472D+01 -0.153751D+01
      3  -0.802409D+01  0.195857D+01 -0.200929D+01  0.100710D+02  0.173079D+02
                51            52            53            54            55 
      1  -0.277185D+01  0.101808D+01  0.104153D+01 -0.210426D+01 -0.130887D+01
      2   0.698019D+01 -0.123348D+02  0.643405D+01  0.137912D+02  0.145211D+01
      3   0.515339D+00 -0.350288D+01  0.122094D+01 -0.769918D+01  0.741798D+01
                56            57            58            59            60 
      1   0.262156D+01 -0.730951D+01  0.189517D+01 -0.364417D+01 -0.103602D+01
      2   0.589891D+00  0.426731D+01  0.490760D+00  0.158244D+01  0.261482D+00
      3  -0.112402D+02  0.236603D+01  0.240325D+01  0.668018D+01 -0.204685D+01
                61            62            63            64            65 
      1  -0.702496D+01  0.848002D+01  0.697323D+01 -0.148571D+00 -0.381413D+01
      2  -0.679240D+00  0.416591D+00 -0.902135D+00  0.331273D+00  0.164214D+01
      3   0.297472D+01 -0.245345D+01  0.734457D+01  0.183087D+01 -0.740544D+01
                66            67            68            69            70 
      1  -0.186304D-01 -0.241830D+00  0.157094D+01 -0.103568D+01 -0.906869D+00
      2   0.823457D+01  0.122362D+00 -0.462450D+01 -0.112832D+01 -0.366387D+01
      3  -0.590431D+00 -0.219890D+01  0.643879D+00  0.427220D+01  0.444895D+01
                71            72            73            74            75 
      1   0.731411D+01 -0.871120D+00  0.952259D+00 -0.484043D+00  0.257815D-01
      2  -0.226415D+01 -0.161109D+02  0.701466D+00 -0.309307D+00  0.431454D+00
      3   0.777981D+01  0.242569D+01  0.168280D+00 -0.896485D+00 -0.619999D+00
                76            77            78            79            80 
      1  -0.644981D-01  0.752363D+00 -0.913411D-01 -0.282698D+00  0.387654D+01
      2  -0.777467D+00  0.144703D+00 -0.357018D+00 -0.379576D+01  0.154878D+00
      3   0.138897D+01  0.116622D+00 -0.758006D-01 -0.486676D-01  0.245690D+00
                81            82            83            84            85 
      1   0.359297D+01  0.110439D+01 -0.657001D+00 -0.970657D-02 -0.289507D+00
      2   0.245743D+00  0.159812D+01 -0.565397D+00  0.184155D+00 -0.143042D+01
      3  -0.363723D+00 -0.121604D+01 -0.662243D+00 -0.109009D+00  0.144756D+01
                86            87            88            89            90 
      1   0.109762D+01 -0.319429D+00 -0.470119D+00  0.428534D+01  0.185124D+01
      2   0.199056D+01  0.176013D+01 -0.411850D+01  0.194254D+01  0.919257D+01
      3  -0.502170D+00 -0.136034D+01  0.329465D+00 -0.216917D+01 -0.139246D+01
                91            92            93            94            95 
      1   0.294492D+01  0.192466D+01 -0.136342D+01  0.177665D+01  0.148817D+01
      2  -0.542439D+01 -0.246586D+01  0.365733D+01 -0.275464D+01 -0.146455D+01
      3   0.120249D+00 -0.449512D+01 -0.694247D+00 -0.769206D+00 -0.299165D+01
                96            97            98            99           100 
      1  -0.518212D+00 -0.900079D+00 -0.175462D+00  0.753588D+00  0.238516D+01
      2   0.165045D+01  0.187663D+01  0.869579D+00 -0.167962D+01 -0.181227D+01
      3   0.210251D+00  0.584998D+00  0.165903D+01 -0.294961D+00 -0.598339D+01
               101           102           103           104           105 
      1  -0.245484D+01  0.421251D+01 -0.236573D+01  0.222660D+01 -0.375436D+01
      2   0.310117D+00  0.604750D+00  0.782677D+00 -0.404272D+00 -0.269599D+00
      3   0.425481D+01 -0.303413D+01  0.738097D+01 -0.516040D+01  0.288703D+01
               106           107           108           109           110 
      1   0.348494D+01 -0.253480D+01  0.445633D+01 -0.923469D+00  0.890200D+00
      2  -0.176590D+01  0.302132D+00  0.281128D-01  0.710325D+00  0.727676D-01
      3  -0.646270D+01  0.389168D+01 -0.407387D+01 -0.124326D+01  0.246550D+00
               111           112           113           114           115 
      1   0.305775D+01  0.104284D+01 -0.278143D+01 -0.341393D+01  0.316937D+01
      2  -0.302220D+00  0.297506D+00  0.262081D+00 -0.182848D+00 -0.271647D+01
      3   0.638237D+00  0.172989D+01 -0.146440D+01 -0.138791D+01  0.452657D+01
               116           117           118           119           120 
      1  -0.310848D+01 -0.123494D+02 -0.263908D+00  0.438187D+00  0.297474D+00
      2   0.758498D-01  0.836659D+00  0.695316D+01 -0.194531D+01  0.791084D+01
      3  -0.134656D+01 -0.336868D+01  0.578837D+01 -0.681151D+01  0.244345D+01
               121           122           123           124           125 
      1  -0.166754D+00 -0.460177D+00 -0.704563D+00 -0.133990D+00  0.145627D+01
      2  -0.213181D+01  0.226814D+01 -0.448241D+01  0.537503D+01 -0.281715D+01
      3  -0.397835D+01  0.371731D+01 -0.218299D+01  0.272662D+01 -0.448355D+01
               126           127           128           129           130 
      1   0.975910D-01  0.455278D+00 -0.236974D+00 -0.479931D+00  0.179531D-01
      2   0.563713D+01 -0.227231D+01  0.124165D+00  0.374321D+01  0.203539D+00
      3   0.314123D+01  0.161681D+01 -0.175573D+01 -0.655158D+00 -0.756043D+00
               131           132           133           134           135 
      1   0.940269D+00 -0.248536D+00 -0.600063D+00  0.362868D+01  0.196164D+01
      2  -0.255333D+01 -0.459893D+01  0.289835D+01 -0.288954D+01 -0.194803D+02
      3   0.114116D+01  0.244796D+01 -0.567081D+00  0.506875D+01  0.383109D+01
               136           137           138           139           140 
      1  -0.366739D+00 -0.369890D+00 -0.560663D+00 -0.185361D+00 -0.167249D+01
      2   0.928005D+00 -0.703263D-01  0.138028D+01  0.181669D-01  0.318259D+00
      3  -0.363744D+01 -0.265036D+01  0.318275D+00  0.191598D+00 -0.228513D+02
               141           142           143           144           145 
      1  -0.254089D+01 -0.588046D+00  0.691035D+00  0.209650D+00  0.297941D+01
      2   0.352787D+01  0.412618D+00  0.167295D+01 -0.109212D+01  0.457301D+01
      3  -0.362601D-01  0.467451D+00 -0.500506D+00 -0.102093D+01  0.157231D+02
               146           147           148           149           150 
      1  -0.113630D+00 -0.377615D+01  0.458188D+00  0.100604D+01 -0.268300D+01
      2   0.106957D+01 -0.242167D+00  0.108895D+01  0.141145D+01 -0.354345D+00
      3   0.431801D+01 -0.454966D+01  0.645749D+01  0.415896D+01 -0.221772D+01
               151           152           153           154           155 
      1  -0.250204D+01 -0.736955D+00  0.181245D+01 -0.104830D+01 -0.397736D-01
      2  -0.336516D+01 -0.121975D+01  0.862671D+00 -0.564858D+00  0.176837D+00
      3  -0.568221D+01 -0.212783D+01  0.363791D+01  0.153320D+01  0.435779D+00
               156           157           158           159           160 
      1   0.109327D+00  0.248097D-01 -0.286296D+01 -0.519013D+01  0.330676D+00
      2   0.771382D+00 -0.303331D+00 -0.126106D+01 -0.140491D+01 -0.244627D+01
      3   0.708710D+00  0.239976D+01  0.119405D+01  0.135282D+01  0.320606D+01
               161           162           163           164           165 
      1  -0.295593D+01 -0.140818D+02  0.306086D+01 -0.589643D+00  0.429000D+01
      2  -0.255241D+01 -0.603887D+01  0.190839D+00 -0.701613D+00  0.304407D+01
      3   0.346731D+01  0.266332D+01 -0.680697D+01 -0.556257D+00 -0.264900D+01
               166           167           168           169           170 
      1  -0.113800D+01  0.144020D+01 -0.359264D+01  0.254070D+01 -0.134624D+01
      2   0.706789D-01  0.754438D+00 -0.193039D+01 -0.419405D+00 -0.173118D+01
      3   0.424185D+01 -0.649725D+00  0.598473D+00 -0.437326D+01 -0.525889D+00
               171 
      1   0.270688D+01
      2   0.183956D+01
      3  -0.771211D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978427D+01  0.830791D+01 -0.768571D+01  0.562619D+01 -0.115783D+02
      2  -0.130886D+02 -0.135894D+01  0.318567D+01  0.884713D-01  0.164567D+02
      3   0.330430D+01 -0.694897D+01  0.450004D+01 -0.571466D+01 -0.487837D+01
      4   0.673248D+01 -0.183294D+02  0.145069D+02 -0.160142D+02 -0.179454D+00
      5  -0.724335D+01  0.743057D+01 -0.444273D+01  0.503927D+01 -0.164457D+01
      6   0.178900D+02 -0.246063D+01  0.109619D+01 -0.210266D+01  0.302655D+01
                 6             7             8             9            10 
      1   0.104313D+01 -0.826089D+01  0.200645D+01  0.662002D+01 -0.117048D+02
      2   0.707333D+00  0.236670D+01  0.112689D+01 -0.993732D+01  0.854629D+01
      3  -0.175047D+01  0.589419D+01 -0.313334D+01  0.331730D+01  0.315854D+01
      4  -0.224120D+01  0.136186D+02 -0.407888D+01  0.822493D+01 -0.967817D+01
      5   0.636188D+01 -0.533227D+01  0.791190D+01  0.925470D+01  0.825633D+01
      6  -0.114693D+02  0.203440D+01 -0.158518D+02 -0.162804D+02 -0.309270D+01
                11            12            13            14            15 
      1  -0.104088D+02  0.623720D+01 -0.123456D+02  0.123159D+02  0.181006D+01
      2   0.509818D+01 -0.485036D+01  0.694584D+01 -0.121617D+02  0.116569D+01
      3   0.531062D+01 -0.138684D+01  0.539979D+01 -0.154185D+00 -0.297574D+01
      4   0.652081D+01 -0.967216D+00  0.743921D+01  0.667580D+01 -0.225141D+00
      5  -0.424152D+00  0.136974D+01 -0.665802D+00  0.566998D-02 -0.675170D+01
      6   0.820079D+00 -0.871791D+00  0.990967D+00 -0.302684D+00  0.691881D-02
                16            17            18            19            20 
      1   0.107403D+02  0.136118D+01  0.662524D+01 -0.126053D+02 -0.586388D+01
      2  -0.477451D+01  0.301993D+01  0.579297D+01  0.114069D+02  0.693492D+01
      3  -0.596579D+01 -0.438111D+01 -0.124182D+02  0.119846D+01 -0.107105D+01
      4  -0.154387D+01 -0.173285D+00 -0.648228D+01 -0.186446D+01  0.139528D+01
      5   0.734928D+01 -0.628685D+01 -0.177878D+02 -0.323632D+01 -0.653356D+00
      6  -0.883060D+00  0.493101D+01 -0.161504D+01 -0.166116D+00 -0.180442D+01
                21            22            23            24            25 
      1  -0.124869D+01  0.414727D+01  0.578961D+01  0.110146D+01 -0.358081D+01
      2  -0.442229D+00 -0.451333D+01 -0.154504D+02  0.212251D+01 -0.888273D+00
      3   0.169092D+01  0.366052D+00  0.966075D+01 -0.322397D+01  0.446908D+01
      4   0.187692D+00 -0.119358D+02 -0.433372D+01 -0.814427D-01  0.314039D+01
      5   0.184320D+01  0.769935D+00 -0.249470D+00  0.181001D+01  0.623984D+00
      6   0.502027D+00  0.476528D+00  0.984168D+00 -0.200291D+01  0.147703D+01
                26            27            28            29            30 
      1   0.465891D+01  0.493222D+01  0.369330D+00  0.567840D+01 -0.103916D+01
      2  -0.330973D+01  0.915154D+01  0.561913D+01 -0.297842D+01 -0.401233D+01
      3  -0.134918D+01 -0.140838D+02 -0.598846D+01 -0.269999D+01  0.505149D+01
      4  -0.168601D+01  0.936979D+00  0.525744D+01 -0.238190D+01 -0.645189D+01
      5   0.172447D+01  0.236522D+01  0.511426D+01 -0.511298D+01 -0.171503D+02
      6   0.314196D+01  0.487608D+01 -0.302061D+01  0.455064D+00 -0.342285D+01
                31            32            33            34            35 
      1   0.956129D+01  0.218922D+01 -0.266831D+01  0.123220D+02  0.953211D+00
      2  -0.461098D+01  0.316783D+00  0.513287D+01 -0.706393D+01 -0.640792D+01
      3  -0.495030D+01 -0.250601D+01 -0.246456D+01 -0.525810D+01  0.545471D+01
      4   0.461586D+01 -0.365511D+01 -0.117380D+01 -0.938545D+01  0.461647D+01
      5  -0.120385D+02 -0.201328D+00 -0.546443D+01 -0.233231D+02 -0.172591D+01
      6  -0.175059D+01 -0.726824D+01  0.804117D+00 -0.360034D+01 -0.708712D+01
                36            37            38            39            40 
      1  -0.557454D+01 -0.181113D+02 -0.974939D+01  0.729011D+01 -0.127886D+02
      2   0.108675D+02  0.278827D+01  0.326947D+01 -0.531332D+01  0.450582D+01
      3  -0.529298D+01  0.153231D+02  0.647993D+01 -0.197679D+01  0.828275D+01
      4   0.873153D+00 -0.143930D+02 -0.406618D+01  0.346424D+01  0.857649D+00
      5   0.161331D+02  0.778904D+01  0.110439D+01  0.101715D+02  0.496771D+01
      6  -0.261853D+01  0.218813D+01  0.249631D+01  0.180420D+01  0.306675D+01
                41            42            43            44            45 
      1  -0.124969D+02 -0.254476D+01  0.134575D+02  0.578725D+00 -0.295289D+01
      2   0.129648D+02  0.124172D+01 -0.971888D+01  0.935959D+00 -0.947805D+01
      3  -0.467870D+00  0.130304D+01 -0.373863D+01 -0.151468D+01  0.124309D+02
      4   0.768187D+01  0.791989D+01  0.111076D+02  0.100131D+02  0.526578D+01
      5   0.735715D+01  0.576436D+01  0.185951D+02  0.835984D+01  0.222300D+02
      6   0.753367D+01  0.846383D+01  0.449322D+01  0.110582D+02  0.870395D+01
                46            47            48            49            50 
      1  -0.456849D+00  0.191507D+02 -0.193876D+02  0.215373D+02 -0.729500D+01
      2  -0.475556D+00 -0.117954D+02  0.953481D+01 -0.148006D+02 -0.717470D+00
      3   0.932405D+00 -0.735537D+01  0.985282D+01 -0.673673D+01  0.801247D+01
      4   0.192824D+02 -0.499984D+01  0.201540D+01 -0.972594D+01 -0.253276D+02
      5  -0.213925D+02  0.264462D+01 -0.102463D+02  0.363495D+01 -0.400228D+01
      6   0.321056D-01  0.116413D+00  0.834405D+00 -0.632563D+00 -0.397808D+00
                51            52            53            54            55 
      1   0.531117D+01 -0.251985D+02  0.398097D+01 -0.857274D+01  0.160911D+02
      2  -0.689796D+00  0.107069D+02 -0.378925D+00  0.124221D+02 -0.132721D+02
      3  -0.462138D+01  0.144915D+02 -0.360205D+01 -0.384936D+01 -0.281899D+01
      4  -0.223488D+01  0.304796D+01 -0.116529D+01  0.124839D+02  0.754059D+01
      5   0.143079D+02 -0.171235D+02  0.131482D+02  0.256182D+02 -0.113339D+01
      6   0.100285D+01  0.157970D+01 -0.111534D+01 -0.141028D+01  0.582301D+01
                56            57            58            59            60 
      1  -0.698871D+01  0.676260D+00 -0.683455D+01 -0.140741D+02 -0.492968D+00
      2   0.110579D+02 -0.129340D+01  0.128478D+02  0.276036D+02  0.201999D+01
      3  -0.406916D+01  0.617136D+00 -0.601328D+01 -0.135295D+02 -0.152703D+01
      4  -0.487675D+01  0.442419D+01  0.476688D+01  0.152174D+02 -0.295908D+01
      5   0.199013D+01  0.155129D+01  0.166685D+01 -0.193526D+01  0.191293D+01
      6  -0.433895D+01  0.125552D+02 -0.481454D+01  0.348434D+01 -0.521016D+00
                61            62            63            64            65 
      1   0.291830D+01  0.137790D+01  0.368729D+01  0.259834D+02 -0.136688D+01
      2  -0.259958D+01  0.218483D+01 -0.585776D+01 -0.190741D+02 -0.101425D+01
      3  -0.318719D+00 -0.356273D+01  0.217047D+01 -0.690935D+01  0.238113D+01
      4   0.482947D+01 -0.296501D+01  0.109929D+02 -0.686801D+01  0.108132D+02
      5   0.347399D+01  0.393051D+01 -0.166507D+01 -0.204382D+02  0.519781D+01
      6   0.134130D+02 -0.390326D+01 -0.123245D+02  0.143264D+01 -0.334684D+01
                66            67            68            69            70 
      1  -0.911257D+01 -0.678260D+01 -0.156567D+01  0.985098D+00 -0.150979D+02
      2   0.116155D+02  0.480183D+01  0.392236D+01 -0.112374D+01  0.153104D+02
      3  -0.250292D+01  0.198077D+01 -0.235669D+01  0.138640D+00 -0.212445D+00
      4   0.582323D+01  0.104813D+02 -0.559361D+01 -0.851072D+01  0.416876D+01
      5   0.231520D+02  0.489799D+01 -0.975109D+01 -0.229729D+01  0.271880D+02
      6  -0.228326D+00 -0.320217D+01  0.267121D+01  0.828954D+01 -0.116879D+01
                71            72            73            74            75 
      1  -0.351371D+01 -0.282444D+01  0.110578D+01  0.149421D+00  0.105072D+01
      2   0.492283D+01 -0.210563D+02 -0.395107D+01 -0.107331D-02  0.989602D+00
      3  -0.140912D+01  0.238808D+02  0.284529D+01 -0.148348D+00 -0.204032D+01
      4  -0.999273D+01 -0.719664D+01  0.340441D+00  0.146925D+01 -0.641625D+00
      5  -0.409392D+01 -0.398868D+02 -0.126411D+01  0.129741D+00  0.534029D+01
      6   0.927242D+01  0.610330D+00 -0.903959D+00 -0.760149D+00  0.431758D+00
                76            77            78            79            80 
      1   0.370281D+00 -0.361094D+01 -0.821264D+00  0.623068D-01  0.808257D+00
      2   0.415893D-01  0.100015D+01 -0.195316D+01  0.136475D+01 -0.283060D+01
      3  -0.411870D+00  0.261078D+01  0.277442D+01 -0.142705D+01  0.202234D+01
      4   0.170828D+01 -0.259169D+00 -0.348631D+00 -0.736806D+00 -0.909426D-01
      5   0.168149D+00 -0.718003D+00 -0.804186D+00  0.430940D+01  0.450197D-01
      6  -0.253166D+00  0.394724D+00  0.505324D+01  0.416126D-01  0.401069D+01
                81            82            83            84            85 
      1  -0.150203D+02  0.192114D+01  0.218449D+01  0.226704D+01  0.292863D+01
      2  -0.141218D+02 -0.403542D+01 -0.932394D+00 -0.470896D+00 -0.180500D+01
      3   0.291421D+02  0.211428D+01 -0.125209D+01 -0.179614D+01 -0.112364D+01
      4   0.530129D+00  0.208182D+01  0.703033D+00  0.479675D+00  0.109409D+01
      5  -0.184442D+01  0.106592D+01  0.656530D+00  0.505956D+01  0.452025D+00
      6  -0.535570D+01  0.722997D+00 -0.312913D+00 -0.461617D+00  0.194221D+00
                86            87            88            89            90 
      1  -0.510196D+01 -0.247554D+01  0.393794D+01 -0.147120D+01 -0.152886D+02
      2   0.170694D+01 -0.143439D+01 -0.235778D+01 -0.301334D+01 -0.140539D+02
      3   0.339503D+01  0.390993D+01 -0.158015D+01  0.448455D+01  0.293425D+02
      4   0.643426D+00  0.279899D+01  0.653496D+00  0.365886D+01  0.334766D+01
      5   0.311223D+01  0.346151D+01  0.368736D+01  0.295571D+01  0.171961D+02
      6   0.298570D+01  0.689307D+01  0.155406D+00  0.456230D+01  0.281455D+01
                91            92            93            94            95 
      1   0.423472D+02  0.154780D+02  0.106252D+01  0.950660D+01  0.646625D+01
      2  -0.179719D+02 -0.465615D+01 -0.158692D+01 -0.148109D+01  0.944820D+00
      3  -0.243753D+02 -0.108218D+02  0.524408D+00 -0.802551D+01 -0.741107D+01
      4   0.246481D+02  0.159309D+02  0.177297D+01  0.145556D+02  0.120695D+02
      5   0.801454D+01  0.365965D+01  0.663217D+01  0.235206D+01  0.238464D+01
      6   0.159759D+01  0.179471D+01  0.179575D+01  0.142954D+01  0.128925D+01
                96            97            98            99           100 
      1   0.587035D+00 -0.113700D+02 -0.472291D+01  0.241057D+01 -0.226485D+01
      2  -0.827860D+00  0.355385D+01  0.502860D+00 -0.108377D+01  0.673699D+01
      3   0.240825D+00  0.781614D+01  0.422005D+01 -0.132680D+01 -0.447213D+01
      4   0.711399D+00 -0.764882D+01 -0.510724D+01  0.276667D+01 -0.992161D+01
      5   0.285575D+01  0.425183D+01  0.191553D+01 -0.353177D+00  0.353070D+01
      6   0.198883D+01  0.231452D+01  0.182539D+01 -0.481397D+00 -0.700294D+01
               101           102           103           104           105 
      1   0.782012D+01 -0.305010D+01  0.486097D+01 -0.118904D+02  0.422535D+01
      2  -0.139379D+02  0.448321D+01 -0.944204D+01  0.203962D+02 -0.663141D+01
      3   0.611775D+01 -0.143311D+01  0.458107D+01 -0.850579D+01  0.240606D+01
      4   0.138101D+02 -0.637403D+01  0.122370D+02 -0.116739D+02  0.538715D+01
      5  -0.354673D+01  0.410871D+01 -0.202414D+01  0.313620D+01 -0.179944D+01
      6   0.916929D+01 -0.847965D+01  0.680343D+01 -0.100807D+02  0.874263D+01
               106           107           108           109           110 
      1  -0.388460D+01  0.785288D+01 -0.645831D+01 -0.153748D+01  0.269319D+01
      2   0.467117D+01 -0.100908D+02  0.488895D+01  0.195295D+01 -0.405197D+01
      3  -0.786565D+00  0.223792D+01  0.156936D+01 -0.415470D+00  0.135878D+01
      4  -0.886903D+01  0.787726D+01 -0.692669D+01 -0.118808D+01  0.439199D+01
      5   0.411494D+01 -0.327143D+01  0.373720D+01 -0.103806D+01  0.334694D+00
      6  -0.836500D+01  0.121755D+02 -0.112116D+02  0.965269D+00 -0.346180D+01
               111           112           113           114           115 
      1   0.160964D+01  0.867488D+00 -0.490107D+01 -0.270971D+01  0.912985D+00
      2  -0.213188D+01 -0.165732D+01  0.706643D+01  0.383741D+01 -0.128930D+01
      3   0.522239D+00  0.789831D+00 -0.216536D+01 -0.112770D+01  0.376314D+00
      4   0.974490D+00  0.417000D+01 -0.218897D+01 -0.244141D+01  0.507644D+01
      5   0.192004D+01  0.212099D+00 -0.110597D+01 -0.928125D+00  0.167028D+01
      6  -0.470103D+01 -0.282342D+01  0.456307D+01  0.781369D+01 -0.496126D+01
               116           117           118           119           120 
      1  -0.915535D+01 -0.902149D+01  0.523423D+02 -0.105185D+02  0.155437D+02
      2   0.108310D+02  0.380703D+01 -0.280311D+02  0.509483D+01 -0.892631D+01
      3  -0.167561D+01  0.521446D+01 -0.243112D+02  0.542364D+01 -0.661738D+01
      4  -0.325668D+01 -0.378980D+01 -0.110590D+02  0.110230D+02 -0.344140D+01
      5  -0.115002D+01 -0.181543D+01  0.182187D+02 -0.393660D+01  0.149869D+02
      6   0.111767D+02  0.223347D+02 -0.221762D+00  0.516922D+00 -0.147434D+00
               121           122           123           124           125 
      1  -0.201832D+02  0.784251D+01 -0.432967D+01  0.256789D+02 -0.365253D+01
      2   0.105246D+02 -0.195344D+01  0.205761D+01 -0.151973D+02  0.186520D+01
      3   0.965855D+01 -0.588907D+01  0.227207D+01 -0.104816D+02  0.178733D+01
      4   0.127857D+02 -0.707262D+01  0.495883D+01 -0.501566D+01  0.727186D+01
      5  -0.619699D+01  0.513759D+01 -0.799285D+01  0.184948D+02 -0.576692D+01
      6   0.123660D+01 -0.153227D+01  0.193721D+01 -0.871418D+00  0.226789D+01
               126           127           128           129           130 
      1   0.108876D+02  0.706608D+01 -0.303021D+01 -0.472957D+01 -0.694681D+01
      2  -0.988227D+01 -0.606297D+01  0.208196D+01  0.400474D+01  0.456924D+01
      3  -0.100534D+01 -0.100311D+01  0.948251D+00  0.724836D+00  0.237757D+01
      4  -0.516299D+01 -0.279889D+01  0.277882D+01  0.943374D+00  0.469447D+01
      5   0.130267D+02 -0.574021D+01  0.124528D+01  0.104183D+02  0.354802D+01
      6  -0.107711D+01  0.819464D+00 -0.984591D-01  0.137979D+00 -0.171564D+01
               131           132           133           134           135 
      1   0.243779D+00 -0.375139D+00 -0.117178D+02 -0.953267D+00  0.925099D+00
      2  -0.223690D+00 -0.205888D+01  0.106959D+02 -0.915926D+00 -0.168545D+02
      3  -0.200895D-01  0.243402D+01  0.102196D+01  0.186919D+01  0.159294D+02
      4  -0.197375D+01 -0.572061D+01  0.133000D+01 -0.847462D+01 -0.606619D+01
      5  -0.520846D+01 -0.892748D+01  0.187593D+02 -0.578812D+01 -0.389878D+02
      6   0.252200D+01  0.441646D+01 -0.108311D+01  0.493123D+01  0.201402D+01
               136           137           138           139           140 
      1   0.353833D+01  0.466658D+01  0.195132D+01  0.141383D+02  0.152670D+01
      2   0.108079D+01  0.536287D-01 -0.109464D+01 -0.464146D+01  0.123403D+02
      3  -0.461912D+01 -0.472021D+01 -0.856678D+00 -0.949683D+01 -0.138670D+02
      4   0.625250D+01  0.113536D+02 -0.286871D+00  0.166094D+02  0.393094D+02
      5   0.172125D+01 -0.574596D+00  0.272957D+01 -0.108447D+01  0.120392D+01
      6  -0.255082D+00 -0.628668D+00  0.900540D+00  0.112140D+00 -0.978062D+00
               141           142           143           144           145 
      1  -0.690152D+00  0.331868D+01 -0.574116D+00  0.915876D+00 -0.723535D+01
      2   0.713458D+00 -0.152226D+01  0.474275D+00 -0.110318D+01  0.743006D+01
      3  -0.233064D-01 -0.179641D+01  0.998412D-01  0.187307D+00 -0.194704D+00
      4   0.133878D+00  0.902617D-01  0.762653D+00  0.306872D+01  0.148843D+02
      5   0.630916D+01  0.502774D+01  0.361729D+01 -0.208793D+01 -0.280054D+01
      6   0.416904D+01  0.110939D+01  0.482855D+01  0.611130D+00 -0.846242D+01
               146           147           148           149           150 
      1  -0.119996D+02  0.575666D+01 -0.696382D+01 -0.838456D+01  0.383464D+01
      2   0.144949D+02 -0.329017D+01  0.849767D+01  0.117302D+02 -0.415393D+01
      3  -0.249539D+01 -0.246649D+01 -0.153385D+01 -0.334561D+01  0.319287D+00
      4   0.741160D+01 -0.586176D+01  0.837920D+01  0.479668D+01 -0.199069D+01
      5  -0.197777D+01  0.230093D+01 -0.116412D+01 -0.866391D+00 -0.117700D+00
      6  -0.645022D+01  0.789282D+01 -0.429029D+01 -0.569755D+01  0.655351D+01
               151           152           153           154           155 
      1   0.551583D+01  0.614744D+01 -0.707102D+01 -0.971312D+00 -0.192706D+01
      2  -0.265496D+01 -0.652317D+01  0.331232D+01  0.144133D+01  0.636869D+00
      3  -0.286087D+01  0.375727D+00  0.375870D+01 -0.470015D+00  0.129019D+01
      4  -0.684785D+01 -0.124794D+01  0.229804D+01 -0.164271D+01  0.533883D+01
      5   0.321198D+01 -0.547649D+00 -0.203861D+01 -0.124677D+01  0.560132D+00
      6   0.555098D+01  0.841161D+01 -0.587850D+01  0.162486D+01  0.884025D-01
               156           157           158           159           160 
      1  -0.134899D+01 -0.100690D+01 -0.622772D+01 -0.495398D+01 -0.249168D+01
      2   0.831795D+00 -0.966958D-01  0.878431D+01  0.673299D+01  0.115045D+01
      3   0.517200D+00  0.110360D+01 -0.255659D+01 -0.177902D+01  0.134122D+01
      4   0.184644D+01  0.447958D+01 -0.353384D+01 -0.239207D+01  0.486162D+01
      5   0.370109D+01 -0.109349D+00 -0.259985D+01 -0.302481D+01  0.443473D+01
      6  -0.421698D+00 -0.406321D-01  0.782781D+01  0.115885D+02 -0.117597D+01
               161           162           163           164           165 
      1  -0.999314D+01 -0.107256D+02  0.121736D+02 -0.103325D+01  0.240433D+01
      2   0.127350D+02  0.383666D+01  0.424450D-01 -0.961754D+01 -0.356401D+00
      3  -0.274185D+01  0.688892D+01 -0.122161D+02  0.106508D+02 -0.204793D+01
      4  -0.656834D+01 -0.573535D+01 -0.251742D+02  0.228354D+02 -0.104887D+02
      5  -0.564991D+01 -0.122901D+02  0.105079D+02 -0.680231D+01  0.907682D+01
      6   0.153929D+02  0.266298D+02 -0.997046D+01  0.820585D+01 -0.921643D+01
               166           167           168           169           170 
      1  -0.131359D+01 -0.332847D+01  0.188018D+01  0.361388D+01  0.302693D+01
      2  -0.653179D+01  0.134354D+02 -0.429169D+01 -0.876899D+00 -0.641167D+01
      3   0.784538D+01 -0.101069D+02  0.241151D+01 -0.273698D+01  0.338474D+01
      4   0.171781D+02 -0.181703D+02  0.709483D+01 -0.118771D+02  0.106068D+02
      5  -0.442565D+01  0.594528D+01 -0.467554D+01  0.896252D+01 -0.689579D+01
      6   0.600079D+01 -0.910010D+01  0.879269D+01 -0.762833D+01  0.110928D+02
               171 
      1  -0.184261D+01
      2   0.100124D+01
      3   0.841370D+00
      4  -0.942889D+01
      5   0.788123D+01
      6  -0.841644D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806737D+02      0.119546D+02      0.133013D+02
   aniso      0.149331D+02      0.221286D+01      0.246214D+01
   xx         0.883764D+02      0.130960D+02      0.145713D+02
   yx         0.243195D+01      0.360378D+00      0.400975D+00
   yy         0.811216D+02      0.120210D+02      0.133752D+02
   zx        -0.131470D+01     -0.194818D+00     -0.216765D+00
   zy         0.192505D+01      0.285262D+00      0.317397D+00
   zz         0.725229D+02      0.107468D+02      0.119574D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806737D+02      0.119546D+02      0.133013D+02
   aniso      0.149331D+02      0.221286D+01      0.246214D+01
   xx         0.872906D+02      0.129351D+02      0.143923D+02
   yx        -0.305205D+00     -0.452267D-01     -0.503214D-01
   yy         0.771508D+02      0.114326D+02      0.127205D+02
   zx        -0.406227D+01     -0.601966D+00     -0.669777D+00
   zy         0.498537D+01      0.738755D+00      0.821976D+00
   zz         0.775795D+02      0.114961D+02      0.127911D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F07-30\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\27-Sep-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
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 0.227898,0.34817\C,0.02223,0.528321,-0.394337\C,-1.334181,-0.019042,0.
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 ,-0.01225732,-0.00989374,0.01010019,0.00876263,0.01419458,-0.08869808,
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 0.00030980,-0.00180075,0.00136445,-0.01304970,-0.02352187,-0.02197524,
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 Fatherhood is pretending the present you love most is soap-on-a-rope.
 -- Bill Cosby
 Job cpu time:       0 days  6 hours 11 minutes 34.7 seconds.
 Elapsed time:       0 days  0 hours 46 minutes 28.1 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 14:51:38 2021.
